4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide

C17H31N3O4S — CID 129002871

IUPAC4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)NCC2CCOC2)CC1
InChIInChI=1S/C17H31N3O4S/c1-25(22,23)20(15-4-2-5-15)16-6-3-9-19(10-7-16)17(21)18-12-14-8-11-24-13-14/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyNXMDHXNSORGRNL-UHFFFAOYSA-N
MW373.52 g/mol
LogP1.40
Rot. Bonds5

About 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide

4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide (PubChem CID 129002871) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide
PubChem CID129002871
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC Name4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)NCC2CCOC2)CC1
InChIInChI=1S/C17H31N3O4S/c1-25(22,23)20(15-4-2-5-15)16-6-3-9-19(10-7-16)17(21)18-12-14-8-11-24-13-14/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyNXMDHXNSORGRNL-UHFFFAOYSA-N
XLogP1.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide 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

4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
CID 94124307
(3S)-3-methyl-4-methylsulfonyl-N-(oxan-3-ylmethyl)piperazine-1-carboxamide
CID 127750304
(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide
CID 95155057
N-cyclobutyl-N-[(4S)-1-(oxan-4-ylmethyl)azepan-4-yl]methanesulfonamide
CID 129343591
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 129341804
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 62823489
2-ethyl-2-methyl-N-(oxolan-3-ylmethyl)morpholine-4-carboxamide
CID 86818299
methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 108913044
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136471
N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
CID 43834019
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide?
The IUPAC name of 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide (CID 129002871) is 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide is CS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)NCC2CCOC2)CC1.
What is the InChIKey of 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide?
The InChIKey is NXMDHXNSORGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-25(22,23)20(15-4-2-5-15)16-6-3-9-19(10-7-16)17(21)18-12-14-8-11-24-13-14/h14-16H,2-13H2,1H3,(H,18,21).
What are the key properties of 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide?
4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 129002871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).