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-(1-azepanyl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 954167
N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 24998697
2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide
CID 21373060
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464600
N-[2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]ethyl]methanesulfonamide
CID 43420817
N-[2-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]methanesulfonamide
CID 43546009
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 47404021
N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 47704829
1-(Azepan-1-yl)-2-(4-ethylsulfonylpiperazin-1-yl)propan-1-one
CID 49610463
N-(2-azepan-1-ylethyl)-N-isopropyl-2-[(methylsulfonyl)amino]propanamide
CID 50957823
2-azepan-1-yl-N-{2-[(methylsulfonyl)amino]ethyl}acetamide
CID 50974851
1-(Azepan-1-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 60395231

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).