N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide

C13H26N2O3S — CID 113152914

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)N(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)15(19(4,17)18)11-12(16)14-9-7-5-6-8-10-14/h5-11H2,1-4H3
InChIKeyYXAHPUBUVGFWOH-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.45
Rot. Bonds3

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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide (PubChem CID 113152914) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide
PubChem CID113152914
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)N(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)15(19(4,17)18)11-12(16)14-9-7-5-6-8-10-14/h5-11H2,1-4H3
InChIKeyYXAHPUBUVGFWOH-UHFFFAOYSA-N
XLogP1.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 113147650
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide
CID 113166142
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147930
N-tert-butyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113152890
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
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-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153265
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
N-(2-oxo-2-piperidin-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50946136

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide (CID 113152914) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide is CC(C)(C)N(CC(=O)N1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide?
The InChIKey is YXAHPUBUVGFWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(2,3)15(19(4,17)18)11-12(16)14-9-7-5-6-8-10-14/h5-11H2,1-4H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.45, 3 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-tert-butylmethanesulfonamide is sourced from PubChem (CID 113152914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).