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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: Supidimide [inn], 49785-74-2, L2gwr3us1g, 2-(2-oxo-3-piperidyl)-1,2-benzisothiazolin-3-one 1,1-dioxide, 3-(2,3-dihydro-1,1-dioxido-3-oxo-1,2-benzisothiazol-2-yl)-2-oxopiperidine, (+/-)-supidimide; cg 3033; em 87

Molecular Formula

C₁₂H₁₂N₂O₄S

Molecular Weight

280.30 g/mol

InChI Key

QQWLXNMPPFCVCD-UHFFFAOYSA-N

FDA UNII

L2GWR3US1G

1 2D Structure

Supidimide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1-dioxo-2-(2-oxopiperidin-3-yl)-1,2-benzothiazol-3-one

2.1.2 InChI

InChI=1S/C12H12N2O4S/c15-11-9(5-3-7-13-11)14-12(16)8-4-1-2-6-10(8)19(14,17)18/h1-2,4,6,9H,3,5,7H2,(H,13,15)

2.1.3 InChI Key

QQWLXNMPPFCVCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(C(=O)NC1)N2C(=O)C3=CC=CC=C3S2(=O)=O

2.2 Other Identifiers

2.2.1 UNII

L2GWR3US1G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cg 3033

2.3.2 Depositor-Supplied Synonyms

1. Supidimide [inn]

2. 49785-74-2

3. L2gwr3us1g

4. 2-(2-oxo-3-piperidyl)-1,2-benzisothiazolin-3-one 1,1-dioxide

5. 3-(2,3-dihydro-1,1-dioxido-3-oxo-1,2-benzisothiazol-2-yl)-2-oxopiperidine

6. (+/-)-supidimide; Cg 3033; Em 87

7. Supidimida

8. Supidimidum

9. Supimide

10. Supidimidum [inn-latin]

11. Supidimida [inn-spanish]

12. Cg 3033

13. Em 87

14. Einecs 256-490-3

15. Unii-l2gwr3us1g

16. 2,3-dihydro-2-(2-oxo-3-piperidyl)-1,2-benzisothiazol-3-on 1,1-dioxid

17. Chembl72115

18. Schembl828138

19. Dtxsid40866142

20. 1,2-benzisothiazolin-3-one, 2-(2-oxo-3-piperidyl)-, 1,1-dioxide

21. 1,2-benzisothiazol-3(2h)-one, 2-(2-oxo-3-piperidinyl)-, 1,1-dioxide

22. Cg-3033

23. Q27282622

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂N₂O₄S
Molecular Weight	280.30 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	280.05177804 g/mol
Monoisotopic Mass	280.05177804 g/mol
Topological Polar Surface Area	91.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	510
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1