CAS 334981-10-1

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Chemistry

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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

CAS 334981-10-1

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 Formula	C₁₁H₁₆N₂O₂S
Molecular Weight	240.32 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	71.8
Heavy Atom Count	16
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1