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

C12H22N2O3S — CID 113147930

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14(11-6-7-11)10-12(15)13-8-4-2-3-5-9-13/h11H,2-10H2,1H3
InChIKeyWCAATUMRSVFUEU-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.81
Rot. Bonds4

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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide (PubChem CID 113147930) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
PubChem CID113147930
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14(11-6-7-11)10-12(15)13-8-4-2-3-5-9-13/h11H,2-10H2,1H3
InChIKeyWCAATUMRSVFUEU-UHFFFAOYSA-N
XLogP0.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152678
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147863
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopentylmethanesulfonamide
CID 113148846
N-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113147861
N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149024
N-cyclopentyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113148905
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113147911
N-cyclobutyl-N-[(4S)-1-[2-[cyclopropyl(ethyl)amino]acetyl]azepan-4-yl]methanesulfonamide
CID 129333764
N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113149044

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide (CID 113147930) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
The InChIKey is WCAATUMRSVFUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)14(11-6-7-11)10-12(15)13-8-4-2-3-5-9-13/h11H,2-10H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.81, 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-cyclopropylmethanesulfonamide is sourced from PubChem (CID 113147930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).