(1S)-2-oxocyclohexane-1-sulfonamide

C6H11NO3S — CID 93494017

IUPAC(1S)-2-oxocyclohexane-1-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCCC1=O
InChIInChI=1S/C6H11NO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h6H,1-4H2,(H2,7,9,10)/t6-/m0/s1
InChIKeyKPEGCOJWEBRSNY-LURJTMIESA-N
MW177.22 g/mol
LogP-0.21
Rot. Bonds1

About (1S)-2-oxocyclohexane-1-sulfonamide

(1S)-2-oxocyclohexane-1-sulfonamide (PubChem CID 93494017) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is (1S)-2-oxocyclohexane-1-sulfonamide.

Molecular Properties

Compound Name(1S)-2-oxocyclohexane-1-sulfonamide
PubChem CID93494017
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name(1S)-2-oxocyclohexane-1-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCCC1=O
InChIInChI=1S/C6H11NO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h6H,1-4H2,(H2,7,9,10)/t6-/m0/s1
InChIKeyKPEGCOJWEBRSNY-LURJTMIESA-N
XLogP-0.21
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxocycloheptane-1-sulfonamide
CID 13398983
2-oxocyclohexane-1-sulfonate
CID 74932974
2-methylsulfonylcycloheptan-1-one
CID 13128906
2-pentylsulfonylcyclohexan-1-one
CID 107764455
N-methyl-2-oxocyclopentane-1-sulfonamide
CID 13398974
2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one
CID 107767571
2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 104626564
2-(3-chlorophenyl)sulfonylcyclohexan-1-one
CID 64636185
2-(1-aminocyclohexyl)cyclohexan-1-one
CID 2771860
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one
CID 22719704
2-iodocyclohexan-1-one
CID 10878790
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314

Frequently Asked Questions

What is the IUPAC name of (1S)-2-oxocyclohexane-1-sulfonamide?
The IUPAC name of (1S)-2-oxocyclohexane-1-sulfonamide (CID 93494017) is (1S)-2-oxocyclohexane-1-sulfonamide.
What is the SMILES notation for (1S)-2-oxocyclohexane-1-sulfonamide?
The canonical SMILES for (1S)-2-oxocyclohexane-1-sulfonamide is NS(=O)(=O)[C@H]1CCCCC1=O.
What is the InChIKey of (1S)-2-oxocyclohexane-1-sulfonamide?
The InChIKey is KPEGCOJWEBRSNY-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h6H,1-4H2,(H2,7,9,10)/t6-/m0/s1.
What are the key properties of (1S)-2-oxocyclohexane-1-sulfonamide?
(1S)-2-oxocyclohexane-1-sulfonamide has a molecular weight of 177.22 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-oxocyclohexane-1-sulfonamide is sourced from PubChem (CID 93494017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).