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

C18H18FNS — CID 11150709

IUPAC4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(Sc2ccccc2F)c(C2=CCNCC2)c1
InChIInChI=1S/C18H18FNS/c1-13-6-7-17(21-18-5-3-2-4-16(18)19)15(12-13)14-8-10-20-11-9-14/h2-8,12,20H,9-11H2,1H3
InChIKeyYUUZWPWDOCQTJZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.66
Rot. Bonds3

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

4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11150709) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11150709
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(Sc2ccccc2F)c(C2=CCNCC2)c1
InChIInChI=1S/C18H18FNS/c1-13-6-7-17(21-18-5-3-2-4-16(18)19)15(12-13)14-8-10-20-11-9-14/h2-8,12,20H,9-11H2,1H3
InChIKeyYUUZWPWDOCQTJZ-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (CID 11150709) is 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is Cc1ccc(Sc2ccccc2F)c(C2=CCNCC2)c1.
What is the InChIKey of 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is YUUZWPWDOCQTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-13-6-7-17(21-18-5-3-2-4-16(18)19)15(12-13)14-8-10-20-11-9-14/h2-8,12,20H,9-11H2,1H3.
What are the key properties of 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 299.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11150709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).