6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine

C7H10F3NS — CID 167495379

IUPAC6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESCSC1=NC(C(F)(F)F)CCC1
InChIInChI=1S/C7H10F3NS/c1-12-6-4-2-3-5(11-6)7(8,9)10/h5H,2-4H2,1H3
InChIKeyHDDHEPLUWLHLIO-UHFFFAOYSA-N
MW197.22 g/mol
LogP2.86
Rot. Bonds

About 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine

6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (PubChem CID 167495379) has the molecular formula C7H10F3NS and a molecular weight of 197.22 g/mol. Its IUPAC name is 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
PubChem CID167495379
Molecular FormulaC7H10F3NS
Molecular Weight197.22 g/mol
Exact Mass197.05
IUPAC Name6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESCSC1=NC(C(F)(F)F)CCC1
InChIInChI=1S/C7H10F3NS/c1-12-6-4-2-3-5(11-6)7(8,9)10/h5H,2-4H2,1H3
InChIKeyHDDHEPLUWLHLIO-UHFFFAOYSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine;trifluoromethanesulfonic acid
CID 171924939
2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole
CID 21041401
2-(iodomethyl)-7-methylsulfanyl-3,4,5,6-tetrahydro-2H-azepine
CID 67851466
2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine
CID 23383064
[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]methanol
CID 11217329
5-methylsulfanyl-2-phenyl-3,4-dihydro-2H-pyrrole
CID 86171847
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
CID 59168900
1-methylidene-2-(trifluoromethyl)cyclopentane
CID 18520883
(1S,5R,7R)-6,6-dimethyl-3-methylsulfanyl-2-azatricyclo[5.4.0.01,5]undec-2-ene
CID 51412944
2-fluoro-6-methyl-2,3,4,5-tetrahydropyridine
CID 91615258
(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
CID 137470834
6-(trifluoromethyl)piperidin-2-one
CID 57367082

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (CID 167495379) is 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is CSC1=NC(C(F)(F)F)CCC1.
What is the InChIKey of 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is HDDHEPLUWLHLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NS/c1-12-6-4-2-3-5(11-6)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 197.22 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 167495379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).