(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide

C14H29N3O2S — CID 96579953

IUPAC(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H](NC2CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-16(2)20(18,19)17-11-7-6-10-14(12-17)15-13-8-4-3-5-9-13/h13-15H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyNPBBXQFNFBDAPE-CQSZACIVSA-N
MW303.47 g/mol
LogP1.57
Rot. Bonds4

About (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide

(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide (PubChem CID 96579953) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
PubChem CID96579953
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H](NC2CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-16(2)20(18,19)17-11-7-6-10-14(12-17)15-13-8-4-3-5-9-13/h13-15H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyNPBBXQFNFBDAPE-CQSZACIVSA-N
XLogP1.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide 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

(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide
CID 96581050
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
3-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-1,1-dimethylurea
CID 154737969
3-formyl-N,N-dimethylpiperidine-1-sulfonamide
CID 63845899
4-chloro-N,N-dimethylazepane-1-sulfonamide
CID 131107442
(3S)-1-(dimethylsulfamoyl)-N-(1-methylcyclohexyl)piperidine-3-carboxamide
CID 95877591
3-(4-chlorophenyl)-N,N-dimethylazepane-1-sulfonamide
CID 121146773
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 125074634
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
The IUPAC name of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide (CID 96579953) is (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide.
What is the SMILES notation for (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
The canonical SMILES for (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC[C@@H](NC2CCCCC2)C1.
What is the InChIKey of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
The InChIKey is NPBBXQFNFBDAPE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-16(2)20(18,19)17-11-7-6-10-14(12-17)15-13-8-4-3-5-9-13/h13-15H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 96579953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).