2-(benzenesulfonyl)-4-propylcyclohexan-1-amine

C15H23NO2S — CID 62918050

IUPAC2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H23NO2S/c1-2-6-12-9-10-14(16)15(11-12)19(17,18)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,2,6,9-11,16H2,1H3
InChIKeyAVGRLWRHDONMQO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.76
Rot. Bonds4

About 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine

2-(benzenesulfonyl)-4-propylcyclohexan-1-amine (PubChem CID 62918050) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
PubChem CID62918050
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H23NO2S/c1-2-6-12-9-10-14(16)15(11-12)19(17,18)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,2,6,9-11,16H2,1H3
InChIKeyAVGRLWRHDONMQO-UHFFFAOYSA-N
XLogP2.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine 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

cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine
CID 64639594
2-[(4-chlorophenyl)methylsulfonyl]-4-propylcyclohexan-1-amine
CID 114792080
(2-pentylcyclopropyl)sulfonylbenzene
CID 10467407
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine
CID 116518607
2-(cyclopentylmethylsulfonyl)-4-propylcyclohexan-1-amine
CID 64675899
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554
2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine
CID 64646653
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
trans-(2R,3S)-2-(benzenesulfonyl)-3-ethylcyclopentan-1-one
CID 11128783
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine (CID 62918050) is 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine?
The InChIKey is AVGRLWRHDONMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-6-12-9-10-14(16)15(11-12)19(17,18)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,2,6,9-11,16H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine?
2-(benzenesulfonyl)-4-propylcyclohexan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62918050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).