N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine

C18H28N2O2S — CID 95047736

IUPACN-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-2-23(21,22)18-10-6-5-9-17(18)20-13-11-16(12-14-20)19-15-7-3-4-8-15/h5-6,9-10,15-16,19H,2-4,7-8,11-14H2,1H3
InChIKeyLACXNIIHMOCYLI-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.98
Rot. Bonds5

About N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine

N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine (PubChem CID 95047736) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
PubChem CID95047736
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C18H28N2O2S/c1-2-23(21,22)18-10-6-5-9-17(18)20-13-11-16(12-14-20)19-15-7-3-4-8-15/h5-6,9-10,15-16,19H,2-4,7-8,11-14H2,1H3
InChIKeyLACXNIIHMOCYLI-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine?
The IUPAC name of N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine (CID 95047736) is N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine?
The canonical SMILES for N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine is CCS(=O)(=O)c1ccccc1N1CCC(NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine?
The InChIKey is LACXNIIHMOCYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-2-23(21,22)18-10-6-5-9-17(18)20-13-11-16(12-14-20)19-15-7-3-4-8-15/h5-6,9-10,15-16,19H,2-4,7-8,11-14H2,1H3.
What are the key properties of N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine?
N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine has a molecular weight of 336.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine is sourced from PubChem (CID 95047736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).