2-[(4-methylphenyl)sulfinylmethyl]pyridine

C13H13NOS — CID 14545769

IUPAC2-[(4-methylphenyl)sulfinylmethyl]pyridine
SMILESCc1ccc(S(=O)Cc2ccccn2)cc1
InChIInChI=1S/C13H13NOS/c1-11-5-7-13(8-6-11)16(15)10-12-4-2-3-9-14-12/h2-9H,10H2,1H3
InChIKeyFLMKPKKHAAJSED-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.70
Rot. Bonds3

About 2-[(4-methylphenyl)sulfinylmethyl]pyridine

2-[(4-methylphenyl)sulfinylmethyl]pyridine (PubChem CID 14545769) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfinylmethyl]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfinylmethyl]pyridine
PubChem CID14545769
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-[(4-methylphenyl)sulfinylmethyl]pyridine
SMILESCc1ccc(S(=O)Cc2ccccn2)cc1
InChIInChI=1S/C13H13NOS/c1-11-5-7-13(8-6-11)16(15)10-12-4-2-3-9-14-12/h2-9H,10H2,1H3
InChIKeyFLMKPKKHAAJSED-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylphenyl)sulfinylmethyl]pyridine 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

pyridin-2-ylmethanesulfinate
CID 57191587
2-(thiophen-2-ylsulfinylmethyl)pyridine
CID 56639480
2-ethylpyridine;sulfurous acid
CID 174743952
4-chloro-3-(pyridin-2-ylmethylsulfinyl)aniline
CID 81201349
2-(pyridin-2-ylmethylsulfinyl)propanoic acid
CID 60982235
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
2-[2-[(S)-methylsulfinyl]ethyl]pyridine
CID 97301952
3-chloro-N-methyl-4-(pyridin-2-ylmethylsulfinyl)aniline
CID 19814401
acetylene;2-ethylpyridine
CID 145358493
ethane;2-ethylpyridine;methane
CID 142439308
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfinylmethyl]pyridine?
The IUPAC name of 2-[(4-methylphenyl)sulfinylmethyl]pyridine (CID 14545769) is 2-[(4-methylphenyl)sulfinylmethyl]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)sulfinylmethyl]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)sulfinylmethyl]pyridine is Cc1ccc(S(=O)Cc2ccccn2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfinylmethyl]pyridine?
The InChIKey is FLMKPKKHAAJSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-11-5-7-13(8-6-11)16(15)10-12-4-2-3-9-14-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)sulfinylmethyl]pyridine?
2-[(4-methylphenyl)sulfinylmethyl]pyridine has a molecular weight of 231.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfinylmethyl]pyridine is sourced from PubChem (CID 14545769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).