2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine

C15H18N2O2S — CID 75443632

IUPAC2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CC(NCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)12-15(13-7-3-2-4-8-13)17-11-14-9-5-6-10-16-14/h2-10,15,17H,11-12H2,1H3
InChIKeyHFEPKQFHFVAFMM-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.96
Rot. Bonds6

About 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine

2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 75443632) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID75443632
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CC(NCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)12-15(13-7-3-2-4-8-13)17-11-14-9-5-6-10-16-14/h2-10,15,17H,11-12H2,1H3
InChIKeyHFEPKQFHFVAFMM-UHFFFAOYSA-N
XLogP1.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine 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

methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
CID 139997097
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
CID 75443631
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 97240294
2-methylsulfonyl-1-phenyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
CID 86793550
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
2-(2-bromo-3-methylsulfonylpropyl)pyridine
CID 66452236
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfonyl-1-phenylethanamine
CID 86793639
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 125054382

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine (CID 75443632) is 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine is CS(=O)(=O)CC(NCc1ccccn1)c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is HFEPKQFHFVAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-20(18,19)12-15(13-7-3-2-4-8-13)17-11-14-9-5-6-10-16-14/h2-10,15,17H,11-12H2,1H3.
What are the key properties of 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine?
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 290.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 75443632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).