4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine

C13H17NS — CID 138627783

IUPAC4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCSc1ccc(C2=NCCC(C)C2)cc1
InChIInChI=1S/C13H17NS/c1-10-7-8-14-13(9-10)11-3-5-12(15-2)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyIURBJJIQUNGCPS-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.63
Rot. Bonds2

About 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine

4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 138627783) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine
PubChem CID138627783
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCSc1ccc(C2=NCCC(C)C2)cc1
InChIInChI=1S/C13H17NS/c1-10-7-8-14-13(9-10)11-3-5-12(15-2)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyIURBJJIQUNGCPS-UHFFFAOYSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine (CID 138627783) is 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine is CSc1ccc(C2=NCCC(C)C2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is IURBJJIQUNGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-10-7-8-14-13(9-10)11-3-5-12(15-2)6-4-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine?
4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 219.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 138627783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).