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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

CAS 669008-26-8
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 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

BUILDING BLOCK

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