CAS 630421-42-0

1 2D Structure

CAS 630421-42-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-tert-butylcyclopropanesulfonamide

2.1.2 InChI

InChI=1S/C7H15NO2S/c1-7(2,3)8-11(9,10)6-4-5-6/h6,8H,4-5H2,1-3H3

2.1.3 InChI Key

JTZIZFSBVOHJQD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)NS(=O)(=O)C1CC1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 630421-42-0

2. N-(tert-butyl)cyclopropanesulfonamide

3. Cyclopropanesulfonic Acid Tert-butylamide

4. Schembl832867

5. Dtxsid00626264

6. N-(t-butyl)cyclopropanesulfonamide

7. N-t-butyl-1-cyclopropylsulfonamide

8. N-tert-butyl Cyclopropylsulfonamide

9. Mfcd11505907

10. Zinc44137829

11. Akos006325033

12. Ac-30861

13. As-37150

14. Cs-0154867

15. A847188

16. A1-08879

17. Cyclopropanesulfonic Acid Tert-butylamide;n-tert-butylcyclopropanesulfonamide

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₅NO₂S
Molecular Weight	177.27 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	177.08234989 g/mol
Monoisotopic Mass	177.08234989 g/mol
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	228
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

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