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

C12H14BrNS — CID 23383064

IUPAC2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine
SMILESCSC1=NC(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H14BrNS/c1-15-12-4-2-3-11(14-12)9-5-7-10(13)8-6-9/h5-8,11H,2-4H2,1H3
InChIKeyFZBJIVJYRHUQSG-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.44
Rot. Bonds1

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

2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine (PubChem CID 23383064) has the molecular formula C12H14BrNS and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine
PubChem CID23383064
Molecular FormulaC12H14BrNS
Molecular Weight284.22 g/mol
Exact Mass283.00
IUPAC Name2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine
SMILESCSC1=NC(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H14BrNS/c1-15-12-4-2-3-11(14-12)9-5-7-10(13)8-6-9/h5-8,11H,2-4H2,1H3
InChIKeyFZBJIVJYRHUQSG-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylsulfanyl-2-phenyl-3,4-dihydro-2H-pyrrole
CID 86171847
2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
CID 12056592
2-(iodomethyl)-7-methylsulfanyl-3,4,5,6-tetrahydro-2H-azepine
CID 67851466
4-(4-bromophenyl)-1-methyl-4,5-dihydrotriazole
CID 155187775
4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-2-methylsulfanyl-4,5,6,7-tetrahydro-1H-quinazoline
CID 4558476
(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230539
(2R)-1-[[(2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230542
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
2-(4-bromophenyl)pyrrolidin-1-amine
CID 83542523

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine (CID 23383064) is 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine is CSC1=NC(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine?
The InChIKey is FZBJIVJYRHUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS/c1-15-12-4-2-3-11(14-12)9-5-7-10(13)8-6-9/h5-8,11H,2-4H2,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine?
2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine has a molecular weight of 284.22 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 23383064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).