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    CAS 669008-26-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 669008-26-8, 1-methylcyclopropanesulfonamide, 1-methyl-cyclopropanesulfonic acid amide, Cyclopropanesulfonamide, 1-methyl-, Cyclopropanesulfonamide, 1-methyl- (9ci), Glecaprevir metabolite m8
    Molecular Formula
    C4H9NO2S
    Molecular Weight
    135.19  g/mol
    InChI Key
    ATJVVVCODTXRAE-UHFFFAOYSA-N
    FDA UNII
    R36SPL699Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methylcyclopropane-1-sulfonamide
    2.1.2 InChI
    InChI=1S/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)
    2.1.3 InChI Key
    ATJVVVCODTXRAE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CC1)S(=O)(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    R36SPL699Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 669008-26-8

    2. 1-methylcyclopropanesulfonamide

    3. 1-methyl-cyclopropanesulfonic Acid Amide

    4. Cyclopropanesulfonamide, 1-methyl-

    5. Cyclopropanesulfonamide, 1-methyl- (9ci)

    6. Glecaprevir Metabolite M8

    7. 1-methyl-cyclopropyl Sulfonamide

    8. R36spl699q

    9. Mfcd11501466

    10. Unii-r36spl699q

    11. Schembl50965

    12. 1-methylcyclopropylsulfonamide

    13. Methylcyclopropane Sulphonamide

    14. (r)-(-)-2-chloropropanol

    15. Methylcyclopropanesulfonic Amide

    16. Methyl Cyclopropanesulfonic Amide

    17. Amy5902

    18. Dtxsid10619521

    19. Act01900

    20. Bcp17230

    21. Methylcyclopropanesulfonic Acid Amide

    22. Zinc39053873

    23. Akos005258188

    24. Cs-w005664

    25. Sb15345

    26. Ac-30862

    27. Ds-13581

    28. Sy060253

    29. Db-024456

    30. Ft-0630102

    31. 008m268

    32. A835583

    33. J-504996

    34. J-640352

    35. J-800355

    36. Z1741977258

    37. 1-methylcyclopropanesulfonamide;1-methylcyclopropane-1-sulfonamide

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 135.19 g/mol
    Molecular Formula C4H9NO2S
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass135.03539970 g/mol
    Monoisotopic Mass135.03539970 g/mol
    Topological Polar Surface Area68.5 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity185
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1