azepane-4-sulfonamide

C6H14N2O2S — CID 137380068

IUPACazepane-4-sulfonamide
SMILESNS(=O)(=O)C1CCCNCC1
InChIInChI=1S/C6H14N2O2S/c7-11(9,10)6-2-1-4-8-5-3-6/h6,8H,1-5H2,(H2,7,9,10)
InChIKeyPXCZYAITCUAMFU-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.58
Rot. Bonds1

About azepane-4-sulfonamide

azepane-4-sulfonamide (PubChem CID 137380068) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is azepane-4-sulfonamide.

Molecular Properties

Compound Nameazepane-4-sulfonamide
PubChem CID137380068
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Nameazepane-4-sulfonamide
SMILESNS(=O)(=O)C1CCCNCC1
InChIInChI=1S/C6H14N2O2S/c7-11(9,10)6-2-1-4-8-5-3-6/h6,8H,1-5H2,(H2,7,9,10)
InChIKeyPXCZYAITCUAMFU-UHFFFAOYSA-N
XLogP-0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropane;piperidine-3-sulfonamide
CID 162108453
4-propan-2-ylsulfonylazepane
CID 115070337
1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride
CID 161366691
4-(3,3-dimethylbutylsulfonyl)azepane
CID 115070444
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
piperidin-3-yl sulfamate
CID 164534332
3-cyclobutylsulfonylpiperidine
CID 115070306
potassium piperidin-4-ylsulfonylazanide
CID 162305619
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
cyclopropanesulfonamide;cyclopropanol
CID 18457681
(2R)-pyrrolidine-2-sulfonamide
CID 54014211

Frequently Asked Questions

What is the IUPAC name of azepane-4-sulfonamide?
The IUPAC name of azepane-4-sulfonamide (CID 137380068) is azepane-4-sulfonamide.
What is the SMILES notation for azepane-4-sulfonamide?
The canonical SMILES for azepane-4-sulfonamide is NS(=O)(=O)C1CCCNCC1.
What is the InChIKey of azepane-4-sulfonamide?
The InChIKey is PXCZYAITCUAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-11(9,10)6-2-1-4-8-5-3-6/h6,8H,1-5H2,(H2,7,9,10).
What are the key properties of azepane-4-sulfonamide?
azepane-4-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepane-4-sulfonamide is sourced from PubChem (CID 137380068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).