4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine

C15H17NO2S2 — CID 1480815

IUPAC4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine
SMILESCc1ccc(Sc2nc(C)cc(C)c2S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO2S2/c1-10-5-7-13(8-6-10)19-15-14(20(4,17)18)11(2)9-12(3)16-15/h5-9H,1-4H3
InChIKeyRYEOOWOHEQXBFJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.56
Rot. Bonds3

About 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine

4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine (PubChem CID 1480815) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine
PubChem CID1480815
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine
SMILESCc1ccc(Sc2nc(C)cc(C)c2S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO2S2/c1-10-5-7-13(8-6-10)19-15-14(20(4,17)18)11(2)9-12(3)16-15/h5-9H,1-4H3
InChIKeyRYEOOWOHEQXBFJ-UHFFFAOYSA-N
XLogP3.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine?
The IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine (CID 1480815) is 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine?
The canonical SMILES for 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine is Cc1ccc(Sc2nc(C)cc(C)c2S(C)(=O)=O)cc1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine?
The InChIKey is RYEOOWOHEQXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-10-5-7-13(8-6-10)19-15-14(20(4,17)18)11(2)9-12(3)16-15/h5-9H,1-4H3.
What are the key properties of 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine?
4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine has a molecular weight of 307.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylphenyl)sulfanyl-3-methylsulfonylpyridine is sourced from PubChem (CID 1480815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).