2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine

C14H22N2O2S — CID 79610284

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2ccccc2)C1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)16-9-5-6-12(11-16)10-14(15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3
InChIKeyHRFQOIGZARIJDN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.75
Rot. Bonds4

About 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine

2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine (PubChem CID 79610284) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
PubChem CID79610284
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2ccccc2)C1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)16-9-5-6-12(11-16)10-14(15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3
InChIKeyHRFQOIGZARIJDN-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine 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

1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011134
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
1-(3-chloro-4-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612155
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
4-(1-methylsulfonylpiperidin-3-yl)-2-phenylbutan-1-amine
CID 81011290
1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612441
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
1-(5-bromofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011114
1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
CID 79609797
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166956
1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011071
1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 82732453

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine (CID 79610284) is 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine is CS(=O)(=O)N1CCCC(CC(N)c2ccccc2)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine?
The InChIKey is HRFQOIGZARIJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)16-9-5-6-12(11-16)10-14(15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine?
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine has a molecular weight of 282.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine is sourced from PubChem (CID 79610284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).