3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine

C15H29NO2S — CID 64717141

IUPAC3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)CC2CCCC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-10-16-14-8-5-9-15(11-14)19(17,18)12-13-6-3-4-7-13/h13-16H,2-12H2,1H3
InChIKeyIYBJUQXODSVJBM-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.90
Rot. Bonds6

About 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine

3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine (PubChem CID 64717141) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
PubChem CID64717141
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)CC2CCCC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-10-16-14-8-5-9-15(11-14)19(17,18)12-13-6-3-4-7-13/h13-16H,2-12H2,1H3
InChIKeyIYBJUQXODSVJBM-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopentylmethylsulfonyl)-N-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

3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
CID 64715675
3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758035
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64716929
1-N-propylcyclohexane-1,3-diamine
CID 22026573
N-propylcyclohexanamine;sulfuric acid
CID 22994805
3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
CID 79569560
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-propylcyclohexanamine;hydrochloride
CID 17370003

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine (CID 64717141) is 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)(=O)CC2CCCC2)C1.
What is the InChIKey of 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine?
The InChIKey is IYBJUQXODSVJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-10-16-14-8-5-9-15(11-14)19(17,18)12-13-6-3-4-7-13/h13-16H,2-12H2,1H3.
What are the key properties of 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine?
3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64717141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).