1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone

C15H15NOS — CID 10131325

IUPAC1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(CC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C15H15NOS/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(18-2)8-5-12/h3-8,10H,9H2,1-2H3
InChIKeyQCTITLPDUACHDS-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.54
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone

1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone (PubChem CID 10131325) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone
PubChem CID10131325
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(CC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C15H15NOS/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(18-2)8-5-12/h3-8,10H,9H2,1-2H3
InChIKeyQCTITLPDUACHDS-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
3-Acetyl-6-methylpyridine
CID 95292
2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
1-Phenyl-3-{[5-(trifluoromethyl)-2-pyridyl]thio}prop-2-en-1-one
CID 5375721
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
5(6H)-Quinolinone, 7,8-dihydro-
CID 3016811
3-(Dimethylamino)-1-(6-methyl-3-pyridinyl)-2-propen-1-one
CID 5714022
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
1-(Quinolin-3-yl)ethan-1-one
CID 5325612
(4-Fluorophenyl)[6-(4-fluorophenyl)-3-pyridinyl]methanone
CID 1485789
[2-(Methylthio)phenyl][1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 16190453

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone (CID 10131325) is 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone is CSc1ccc(CC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone?
The InChIKey is QCTITLPDUACHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(18-2)8-5-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone?
1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone has a molecular weight of 257.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 10131325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).