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

C18H18FNS — CID 11174066

IUPAC4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1c(F)cccc1Sc1ccccc1C1=CCNCC1
InChIInChI=1S/C18H18FNS/c1-13-16(19)6-4-8-17(13)21-18-7-3-2-5-15(18)14-9-11-20-12-10-14/h2-9,20H,10-12H2,1H3
InChIKeyPHDZOIVGCWIKAA-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.66
Rot. Bonds3

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

4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11174066) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11174066
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1c(F)cccc1Sc1ccccc1C1=CCNCC1
InChIInChI=1S/C18H18FNS/c1-13-16(19)6-4-8-17(13)21-18-7-3-2-5-15(18)14-9-11-20-12-10-14/h2-9,20H,10-12H2,1H3
InChIKeyPHDZOIVGCWIKAA-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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Related Compounds

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CID 56678302
N'-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 3071792
N,N'-bis[6-[(2-methylsulfanylphenyl)methylamino]hexyl]octane-1,8-diamine
CID 44380611
N-methyl(2-(4-(trifluoromethyl)phenylthio)phenyl)methanamine
CID 44568750
N-methyl-N-(3-phenyl-3-{[4-(trifluoromethyl)phenyl]sulfanyl}propyl)amine
CID 11834825
Piperidine, 3-(thioxanthen-9-ylmethyl)-
CID 3056440
Tiopropamine
CID 65812
Damotepine
CID 71644
1-Methyl-2-[2-(phenylsulfanyl)phenyl]ethylamine
CID 11834785
2-benzo[b][1]benzothiepin-5-ylsulfanyl-N-methylethanamine
CID 12794952

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (CID 11174066) is 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is Cc1c(F)cccc1Sc1ccccc1C1=CCNCC1.
What is the InChIKey of 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is PHDZOIVGCWIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-13-16(19)6-4-8-17(13)21-18-7-3-2-5-15(18)14-9-11-20-12-10-14/h2-9,20H,10-12H2,1H3.
What are the key properties of 4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
4-[2-(3-fluoro-2-methylphenyl)sulfanylphenyl]-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-(3-fluoro-2-methylphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11174066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).