N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide

C14H28N2O3S — CID 113153265

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCN(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-13(2)8-11-16(20(3,18)19)12-14(17)15-9-6-4-5-7-10-15/h13H,4-12H2,1-3H3
InChIKeyLQZIITQWRSKICH-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide (PubChem CID 113153265) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
PubChem CID113153265
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCN(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-13(2)8-11-16(20(3,18)19)12-14(17)15-9-6-4-5-7-10-15/h13H,4-12H2,1-3H3
InChIKeyLQZIITQWRSKICH-UHFFFAOYSA-N
XLogP1.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113150088
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148449
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 113147650
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153244
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137008
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide
CID 113152914
N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151736

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide (CID 113153265) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide is CC(C)CCN(CC(=O)N1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide?
The InChIKey is LQZIITQWRSKICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-13(2)8-11-16(20(3,18)19)12-14(17)15-9-6-4-5-7-10-15/h13H,4-12H2,1-3H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.70, 6 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-(3-methylbutyl)methanesulfonamide is sourced from PubChem (CID 113153265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).