2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine

C14H16N2O2S — CID 157016183

IUPAC2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine
SMILESCS(=O)(=O)c1cccnc1-c1ccc(CCN)cc1
InChIInChI=1S/C14H16N2O2S/c1-19(17,18)13-3-2-10-16-14(13)12-6-4-11(5-7-12)8-9-15/h2-7,10H,8-9,15H2,1H3
InChIKeyZCXQDJSQSPJOEY-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.65
Rot. Bonds4

About 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine

2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine (PubChem CID 157016183) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine
PubChem CID157016183
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine
SMILESCS(=O)(=O)c1cccnc1-c1ccc(CCN)cc1
InChIInChI=1S/C14H16N2O2S/c1-19(17,18)13-3-2-10-16-14(13)12-6-4-11(5-7-12)8-9-15/h2-7,10H,8-9,15H2,1H3
InChIKeyZCXQDJSQSPJOEY-UHFFFAOYSA-N
XLogP1.65
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine
CID 141276188
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide
CID 59672870
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
CID 114599487
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
N-[4-(2-chloroethyl)phenyl]-3-methylsulfonylpyridin-2-amine
CID 114599778
2-(2-ethoxyphenyl)-3-methylsulfonylpyridine
CID 70515395
[4-(2-methylsulfonylphenyl)phenyl]methanamine
CID 15551924
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine
CID 90162747
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine (CID 157016183) is 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine is CS(=O)(=O)c1cccnc1-c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine?
The InChIKey is ZCXQDJSQSPJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-19(17,18)13-3-2-10-16-14(13)12-6-4-11(5-7-12)8-9-15/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine?
2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine has a molecular weight of 276.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine is sourced from PubChem (CID 157016183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).