3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine

C15H24N2O2S — CID 81457446

IUPAC3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)CCc2ccccc2)CCC1N
InChIInChI=1S/C15H24N2O2S/c1-2-14-12-17(10-8-15(14)16)20(18,19)11-9-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,16H2,1H3
InChIKeyJBLIOFYUOGDZEP-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.62
Rot. Bonds5

About 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine

3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine (PubChem CID 81457446) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
PubChem CID81457446
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)CCc2ccccc2)CCC1N
InChIInChI=1S/C15H24N2O2S/c1-2-14-12-17(10-8-15(14)16)20(18,19)11-9-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,16H2,1H3
InChIKeyJBLIOFYUOGDZEP-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(2-phenylethylsulfonyl)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

Related Compounds

3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
CID 81456891
2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 86768437
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine (CID 81457446) is 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine is CCC1CN(S(=O)(=O)CCc2ccccc2)CCC1N.
What is the InChIKey of 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine?
The InChIKey is JBLIOFYUOGDZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-14-12-17(10-8-15(14)16)20(18,19)11-9-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,16H2,1H3.
What are the key properties of 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine?
3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 81457446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).