3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine

C15H17NO2S — CID 90162283

IUPAC3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H17NO2S/c1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18/h4-11H,1-3H3
InChIKeyJBNURXHRIBNJGN-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.28
Rot. Bonds3

About 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine

3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine (PubChem CID 90162283) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
PubChem CID90162283
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H17NO2S/c1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18/h4-11H,1-3H3
InChIKeyJBNURXHRIBNJGN-UHFFFAOYSA-N
XLogP3.28
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine 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 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine?
The IUPAC name of 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine (CID 90162283) is 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine?
The canonical SMILES for 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine is CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine?
The InChIKey is JBNURXHRIBNJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18/h4-11H,1-3H3.
What are the key properties of 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine?
3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine has a molecular weight of 275.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine is sourced from PubChem (CID 90162283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).