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

C16H30N2O3S — CID 113153097

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C16H30N2O3S/c1-22(20,21)18(15-10-6-2-3-7-11-15)14-16(19)17-12-8-4-5-9-13-17/h15H,2-14H2,1H3
InChIKeyWHDJDDWWMOYGQU-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.37
Rot. Bonds4

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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide (PubChem CID 113153097) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
PubChem CID113153097
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C16H30N2O3S/c1-22(20,21)18(15-10-6-2-3-7-11-15)14-16(19)17-12-8-4-5-9-13-17/h15H,2-14H2,1H3
InChIKeyWHDJDDWWMOYGQU-UHFFFAOYSA-N
XLogP2.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147930
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-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149024
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-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113147861
N-cyclopentyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113148905
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
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-cycloheptylmethanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide (CID 113153097) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide?
The InChIKey is WHDJDDWWMOYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-22(20,21)18(15-10-6-2-3-7-11-15)14-16(19)17-12-8-4-5-9-13-17/h15H,2-14H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide has a molecular weight of 330.49 g/mol, XLogP of 2.37, 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-cycloheptylmethanesulfonamide is sourced from PubChem (CID 113153097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).