CAS 669008-26-8

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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

CAS 669008-26-8

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 Formula	C₄H₉NO₂S
Molecular Weight	135.19 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	135.03539970 g/mol
Monoisotopic Mass	135.03539970 g/mol
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	185
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