4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine

C15H17NS — CID 170194633

IUPAC4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
SMILESCSc1ccc(CC(C)c2ccncc2)cc1
InChIInChI=1S/C15H17NS/c1-12(14-7-9-16-10-8-14)11-13-3-5-15(17-2)6-4-13/h3-10,12H,11H2,1-2H3
InChIKeyXOYPRNCITYPOJK-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.15
Rot. Bonds4

About 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine

4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine (PubChem CID 170194633) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
PubChem CID170194633
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
SMILESCSc1ccc(CC(C)c2ccncc2)cc1
InChIInChI=1S/C15H17NS/c1-12(14-7-9-16-10-8-14)11-13-3-5-15(17-2)6-4-13/h3-10,12H,11H2,1-2H3
InChIKeyXOYPRNCITYPOJK-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-methylsulfanylphenyl)propan-2-yl]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

1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine
CID 56899751
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
2-pyridin-4-ylpropane-1-thiol
CID 146504798
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine
CID 44613190
ethyl 2-methyl-3-(4-methylsulfanylphenyl)propanoate
CID 141007398
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
4-[(2S)-pentan-2-yl]pyridine
CID 166675231

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine (CID 170194633) is 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine is CSc1ccc(CC(C)c2ccncc2)cc1.
What is the InChIKey of 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine?
The InChIKey is XOYPRNCITYPOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12(14-7-9-16-10-8-14)11-13-3-5-15(17-2)6-4-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine?
4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine has a molecular weight of 243.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylsulfanylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 170194633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).