4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine

C18H18FNOS — CID 11232304

IUPAC4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccccc1Sc1ccc(F)cc1C1=CCNCC1
InChIInChI=1S/C18H18FNOS/c1-21-16-4-2-3-5-18(16)22-17-7-6-14(19)12-15(17)13-8-10-20-11-9-13/h2-8,12,20H,9-11H2,1H3
InChIKeyQSPBRZOKFZWSCU-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.36
Rot. Bonds4

About 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine

4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11232304) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11232304
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccccc1Sc1ccc(F)cc1C1=CCNCC1
InChIInChI=1S/C18H18FNOS/c1-21-16-4-2-3-5-18(16)22-17-7-6-14(19)12-15(17)13-8-10-20-11-9-13/h2-8,12,20H,9-11H2,1H3
InChIKeyQSPBRZOKFZWSCU-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (CID 11232304) is 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is COc1ccccc1Sc1ccc(F)cc1C1=CCNCC1.
What is the InChIKey of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is QSPBRZOKFZWSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-21-16-4-2-3-5-18(16)22-17-7-6-14(19)12-15(17)13-8-10-20-11-9-13/h2-8,12,20H,9-11H2,1H3.
What are the key properties of 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 315.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11232304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).