N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

C15H28N2O3S — CID 954167

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-21(19,20)17(14-9-5-4-6-10-14)13-15(18)16-11-7-2-3-8-12-16/h14H,2-13H2,1H3
InChIKeyJVDFXLNXZSUYSM-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.98
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (PubChem CID 954167) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
PubChem CID954167
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-21(19,20)17(14-9-5-4-6-10-14)13-15(18)16-11-7-2-3-8-12-16/h14H,2-13H2,1H3
InChIKeyJVDFXLNXZSUYSM-UHFFFAOYSA-N
XLogP1.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (CID 954167) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The InChIKey is JVDFXLNXZSUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-21(19,20)17(14-9-5-4-6-10-14)13-15(18)16-11-7-2-3-8-12-16/h14H,2-13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 954167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).