2-(2,4-dimethylphenyl)sulfinylpyridine

C13H13NOS — CID 56840546

IUPAC2-(2,4-dimethylphenyl)sulfinylpyridine
SMILESCc1ccc(S(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C13H13NOS/c1-10-6-7-12(11(2)9-10)16(15)13-5-3-4-8-14-13/h3-9H,1-2H3
InChIKeyUHQSSKAZQCQPON-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.87
Rot. Bonds2

About 2-(2,4-dimethylphenyl)sulfinylpyridine

2-(2,4-dimethylphenyl)sulfinylpyridine (PubChem CID 56840546) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfinylpyridine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfinylpyridine
PubChem CID56840546
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-(2,4-dimethylphenyl)sulfinylpyridine
SMILESCc1ccc(S(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C13H13NOS/c1-10-6-7-12(11(2)9-10)16(15)13-5-3-4-8-14-13/h3-9H,1-2H3
InChIKeyUHQSSKAZQCQPON-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenyl)sulfinylpyridine 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 2-(2,4-dimethylphenyl)sulfinylpyridine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfinylpyridine (CID 56840546) is 2-(2,4-dimethylphenyl)sulfinylpyridine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfinylpyridine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfinylpyridine is Cc1ccc(S(=O)c2ccccn2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfinylpyridine?
The InChIKey is UHQSSKAZQCQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-6-7-12(11(2)9-10)16(15)13-5-3-4-8-14-13/h3-9H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfinylpyridine?
2-(2,4-dimethylphenyl)sulfinylpyridine has a molecular weight of 231.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfinylpyridine is sourced from PubChem (CID 56840546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).