2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide

C10H19N3O4S — CID 51079705

IUPAC2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
SMILESCN(CC(=O)NC1CCCCNC1=O)S(C)(=O)=O
InChIInChI=1S/C10H19N3O4S/c1-13(18(2,16)17)7-9(14)12-8-5-3-4-6-11-10(8)15/h8H,3-7H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyGMJUHGJPPJVDAQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.34
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 51079705) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
PubChem CID51079705
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
SMILESCN(CC(=O)NC1CCCCNC1=O)S(C)(=O)=O
InChIInChI=1S/C10H19N3O4S/c1-13(18(2,16)17)7-9(14)12-8-5-3-4-6-11-10(8)15/h8H,3-7H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyGMJUHGJPPJVDAQ-UHFFFAOYSA-N
XLogP-1.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
CID 55683241
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94083760
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
2-[(2,4-difluorophenyl)methyl-methylamino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94084776
2-(3,4-dimethoxy-N-methylanilino)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94819772
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide (CID 51079705) is 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide is CN(CC(=O)NC1CCCCNC1=O)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is GMJUHGJPPJVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-13(18(2,16)17)7-9(14)12-8-5-3-4-6-11-10(8)15/h8H,3-7H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of -1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 51079705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).