2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C16H31NO2S — CID 64674704

IUPAC2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)(=O)C1CCCC1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-10-9-13(12(2)3)11-16(15)20(18,19)14-7-5-6-8-14/h12-17H,4-11H2,1-3H3
InChIKeyKLEMZUSGGILXQM-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.15
Rot. Bonds5

About 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64674704) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64674704
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)(=O)C1CCCC1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-10-9-13(12(2)3)11-16(15)20(18,19)14-7-5-6-8-14/h12-17H,4-11H2,1-3H3
InChIKeyKLEMZUSGGILXQM-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-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

2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
CID 64674406
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 63468159
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
CID 64613535
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 64674704) is 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is KLEMZUSGGILXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-4-17-15-10-9-13(12(2)3)11-16(15)20(18,19)14-7-5-6-8-14/h12-17H,4-11H2,1-3H3.
What are the key properties of 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64674704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).