4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine

C19H20FNS — CID 11381436

IUPAC4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(Sc2cccc(F)c2C)c(C2=CCNCC2)c1
InChIInChI=1S/C19H20FNS/c1-13-6-7-19(16(12-13)15-8-10-21-11-9-15)22-18-5-3-4-17(20)14(18)2/h3-8,12,21H,9-11H2,1-2H3
InChIKeyHVEBYYLFYABXGV-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.97
Rot. Bonds3

About 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine

4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11381436) has the molecular formula C19H20FNS and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11381436
Molecular FormulaC19H20FNS
Molecular Weight313.44 g/mol
Exact Mass313.13
IUPAC Name4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(Sc2cccc(F)c2C)c(C2=CCNCC2)c1
InChIInChI=1S/C19H20FNS/c1-13-6-7-19(16(12-13)15-8-10-21-11-9-15)22-18-5-3-4-17(20)14(18)2/h3-8,12,21H,9-11H2,1-2H3
InChIKeyHVEBYYLFYABXGV-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (CID 11381436) is 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is Cc1ccc(Sc2cccc(F)c2C)c(C2=CCNCC2)c1.
What is the InChIKey of 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is HVEBYYLFYABXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNS/c1-13-6-7-19(16(12-13)15-8-10-21-11-9-15)22-18-5-3-4-17(20)14(18)2/h3-8,12,21H,9-11H2,1-2H3.
What are the key properties of 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 313.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-2-methylphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11381436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).