2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine

C15H29NO2S — CID 79582120

IUPAC2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-2-16-15-10-6-7-13(15)11-12-19(17,18)14-8-4-3-5-9-14/h13-16H,2-12H2,1H3
InChIKeyPWBWUSYOWVOAIF-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.90
Rot. Bonds6

About 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine

2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine (PubChem CID 79582120) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine
PubChem CID79582120
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-2-16-15-10-6-7-13(15)11-12-19(17,18)14-8-4-3-5-9-14/h13-16H,2-12H2,1H3
InChIKeyPWBWUSYOWVOAIF-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

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Related Compounds

2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
CID 79581739
2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine
CID 79581966
N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
CID 107760245
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine
CID 79850712
2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
CID 103290168
heptylsulfonylcyclooctane
CID 134525047
undecylsulfonylcyclohexane
CID 151596280
N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine
CID 79565380

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine (CID 79582120) is 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine is CCNC1CCCC1CCS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine?
The InChIKey is PWBWUSYOWVOAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-16-15-10-6-7-13(15)11-12-19(17,18)14-8-4-3-5-9-14/h13-16H,2-12H2,1H3.
What are the key properties of 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine?
2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-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 2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79582120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).