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    CAS 334981-10-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 334981-10-1, 4-(pyrrolidin-1-ylsulfonylmethyl)aniline, 4-(pyrrolidinosulfonylmethyl)benzeneamine, 1-((4-aminobenzenemethane)sulfonyl)pyrrolidine, 4-(pyrrolidine-1-sulfonylmethyl)aniline, Pyrrolidine, 1-[[(4-aminophenyl)methyl]sulfonyl]-
    Molecular Formula
    C11H16N2O2S
    Molecular Weight
    240.32  g/mol
    InChI Key
    VNSKHALYBQZMFW-UHFFFAOYSA-N
    FDA UNII
    2EU666P9ND
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(pyrrolidin-1-ylsulfonylmethyl)aniline
    2.1.2 InChI
    InChI=1S/C11H16N2O2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
    2.1.3 InChI Key
    VNSKHALYBQZMFW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)N
    2.2 Other Identifiers
    2.2.1 UNII
    2EU666P9ND
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 334981-10-1

    2. 4-(pyrrolidin-1-ylsulfonylmethyl)aniline

    3. 4-(pyrrolidinosulfonylmethyl)benzeneamine

    4. 1-((4-aminobenzenemethane)sulfonyl)pyrrolidine

    5. 4-(pyrrolidine-1-sulfonylmethyl)aniline

    6. Pyrrolidine, 1-[[(4-aminophenyl)methyl]sulfonyl]-

    7. 2eu666p9nd

    8. 4-[(1-pyrrolidinylsulfonyl)methyl]benzenamine

    9. Mfcd06795500

    10. 4-[(1-pyrrolidinylsulfonyl)methyl]- Benzenamine

    11. Unii-2eu666p9nd

    12. 4-((1-pyrrolidinylsulfonyl)methyl)benzenamine

    13. Benzenamine, 4-((1-pyrrolidinylsulfonyl)methyl)-

    14. N-[(4-aminophenyl)methyl Sulfonyl]pyrrolidine

    15. 4-(1-pyrrolidinylsulfonylmethyl)aniline

    16. 4-[(1-pyrrolidinylsulfonyl)methyl]aniline

    17. 1-[[(4-aminophenyl)methyl]sulfonyl]-pyrrolidine

    18. N-[(4-aminophenyl)-methylsulfonyl]pyryolidine

    19. 4-[(1-pyrrolidinylsulfonyl)methyl]-benzenamine

    20. 4-(pyrrolidine-1-sulfonylmethyl)-phenylamine

    21. N-[(4-aminophenyl)methyl Sulfonyl]pyryolidine

    22. 4-[(1-pyrrolidinylsulfonyl)methyl]phenylamine

    23. 1-[[(4-aminophenyl)methyl]sulfonyl]pyrrolidine

    24. Schembl1425543

    25. Dtxsid80458020

    26. Vnskhalybqzmfw-uhfffaoysa-n

    27. Amy13399

    28. Bcp10970

    29. Akos009159104

    30. 1-[(4-aminobenzyl)sulfonyl]pyrrolidine

    31. 4-(pyrrolidine-1-sulfonylmethyl)-aniline

    32. Ac-25847

    33. As-15842

    34. Sy052862

    35. 4-[(pyrrolidine-1-sulfonyl)methyl]aniline

    36. A5968

    37. Cs-0113418

    38. Ft-0648299

    39. P2148

    40. Ar-011/42531548

    41. 4-(pyrrolidine-1-sulfonylmethyl)aniline, Aldrichcpr

    42. J-504080

    43. Benzenamine, 4-[(1-pyrrolidinylsulfonyl)methyl]-; Pyrrolidine, 1-[[(4-aminophenyl)methyl]sulfonyl]- (9ci); 4-[(1-pyrrolidinylsulfonyl)methyl]benzenamine; 1-((4-aminobenzenemethane)sulfonyl)pyrrolidine; 4-(pyrrolidin-1-ylsulfonylmethyl)aniline

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 240.32 g/mol
    Molecular Formula C11H16N2O2S
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area71.8
    Heavy Atom Count16
    Formal Charge0
    Complexity309
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1