N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide

C15H27N3O2S — CID 61122692

IUPACN-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2S/c1-2-14-7-9-15(13-16,10-8-14)17-21(19,20)18-11-5-3-4-6-12-18/h14,17H,2-12H2,1H3
InChIKeyOJNVPXKFGBEJOW-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.56
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide

N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide (PubChem CID 61122692) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide
PubChem CID61122692
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2S/c1-2-14-7-9-15(13-16,10-8-14)17-21(19,20)18-11-5-3-4-6-12-18/h14,17H,2-12H2,1H3
InChIKeyOJNVPXKFGBEJOW-UHFFFAOYSA-N
XLogP2.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 28940704
N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide
CID 28940744
1-Cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947883
N-(1-cyanocyclohexyl)azepane-1-sulfonamide
CID 60713525
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61121904
N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide
CID 61122100
1-Cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 61122288
N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide
CID 61122297
N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
CID 61123301
N-(1-cyanocycloheptyl)-3-methylpiperidine-1-sulfonamide
CID 61123699
N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61124087
1-Cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide (CID 61122692) is N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide is CCC1CCC(C#N)(NS(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide?
The InChIKey is OJNVPXKFGBEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-2-14-7-9-15(13-16,10-8-14)17-21(19,20)18-11-5-3-4-6-12-18/h14,17H,2-12H2,1H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide?
N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide is sourced from PubChem (CID 61122692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).