2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide

C13H25N3O3S — CID 128995558

IUPAC2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(CC(N)=O)CC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)16(11-4-2-5-11)12-6-3-8-15(9-7-12)10-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)
InChIKeyJQGYJHYTGDFHNA-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.14
Rot. Bonds5

About 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide

2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide (PubChem CID 128995558) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide
PubChem CID128995558
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(CC(N)=O)CC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)16(11-4-2-5-11)12-6-3-8-15(9-7-12)10-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)
InChIKeyJQGYJHYTGDFHNA-UHFFFAOYSA-N
XLogP0.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-N-[(4S)-1-(oxan-4-ylmethyl)azepan-4-yl]methanesulfonamide
CID 129343591
2-(azetidin-1-yl)acetamide
CID 18923030
N,N-dicyclopentylmethanesulfonamide
CID 71097548
N-cyclobutyl-N-[(4R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]azepan-4-yl]methanesulfonamide
CID 129338437
2-(4-hydroxypiperidin-1-yl)acetamide
CID 14799132
N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide
CID 129007847
2-(4-ethylpiperidin-1-yl)acetamide
CID 23381133
2-(4-acetylpiperidin-1-yl)acetamide
CID 59463755
N-cyclobutyl-N-[(4S)-1-[2-[cyclopropyl(ethyl)amino]acetyl]azepan-4-yl]methanesulfonamide
CID 129333764
N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide
CID 129331617
2-(4-cyclobutylpiperazin-1-yl)acetamide;hydrochloride
CID 121020770
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide?
The IUPAC name of 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide (CID 128995558) is 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide?
The canonical SMILES for 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide is CS(=O)(=O)N(C1CCC1)C1CCCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide?
The InChIKey is JQGYJHYTGDFHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-20(18,19)16(11-4-2-5-11)12-6-3-8-15(9-7-12)10-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17).
What are the key properties of 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide?
2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide is sourced from PubChem (CID 128995558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).