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

C10H20N2O3S — CID 30464600

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-11(16(2,14)15)9-10(13)12-7-5-3-4-6-8-12/h3-9H2,1-2H3
InChIKeyAXMGICGLLVPQJW-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.28
Rot. Bonds3

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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 30464600) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID30464600
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-11(16(2,14)15)9-10(13)12-7-5-3-4-6-8-12/h3-9H2,1-2H3
InChIKeyAXMGICGLLVPQJW-UHFFFAOYSA-N
XLogP0.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
CID 30464585
N-[2-(1-azepanyl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 954167
1-(4-Methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 53016288
N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 24998697
2-[butyl(methylsulfonyl)amino]-N,N-dimethylacetamide
CID 88576024
4-Tert-butyl-1-methylsulfonyl-1,4-diazepan-2-one
CID 146179525
2-[cyclohexyl(methylsulfonyl)amino]-N,N-diethylacetamide
CID 21373060
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
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide (CID 30464600) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is AXMGICGLLVPQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-11(16(2,14)15)9-10(13)12-7-5-3-4-6-8-12/h3-9H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.28, 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-methylmethanesulfonamide is sourced from PubChem (CID 30464600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).