1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide

C17H33N3O3S — CID 3589350

IUPAC1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C17H33N3O3S/c1-15(2)9-10-18-17(21)16-8-7-13-20(14-16)24(22,23)19-11-5-3-4-6-12-19/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyNGOXFVWRYDPKHP-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.98
Rot. Bonds6

About 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide

1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 3589350) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID3589350
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC Name1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C17H33N3O3S/c1-15(2)9-10-18-17(21)16-8-7-13-20(14-16)24(22,23)19-11-5-3-4-6-12-19/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyNGOXFVWRYDPKHP-UHFFFAOYSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-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

1-(azepan-1-ylsulfonyl)-N-butylpiperidine-4-carboxamide
CID 4673656
N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3317219
1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 3482045
N-[3-(azepan-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3686338
1-(azepan-1-ylsulfonyl)-N-butan-2-ylpiperidine-3-carboxamide
CID 4050568
N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4061982
N-butyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4075862
N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4083756
N-cyclohexyl-1-(diethylsulfamoyl)piperidine-3-carboxamide
CID 4085647
1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 4132150
1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 4136541
N-butan-2-yl-1-(diethylsulfamoyl)piperidine-3-carboxamide
CID 4350862

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 3589350) is 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is NGOXFVWRYDPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-15(2)9-10-18-17(21)16-8-7-13-20(14-16)24(22,23)19-11-5-3-4-6-12-19/h15-16H,3-14H2,1-2H3,(H,18,21).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 3589350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).