6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine

C12H15NS — CID 12791711

IUPAC6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NCCC(Sc2ccccc2)C1
InChIInChI=1S/C12H15NS/c1-10-9-12(7-8-13-10)14-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeySBJGIVMVCMETCG-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.40
Rot. Bonds2

About 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine

6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine (PubChem CID 12791711) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine
PubChem CID12791711
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NCCC(Sc2ccccc2)C1
InChIInChI=1S/C12H15NS/c1-10-9-12(7-8-13-10)14-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeySBJGIVMVCMETCG-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4962505
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2-(phenylsulfanylmethyl)-3,3a,4,5,6,7-hexahydro-2H-indole
CID 101052267
phenylsulfonyl-acetone N-methylimine
CID 129779628
(Z)-N,1-bis(phenylsulfanyl)propan-2-imine
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(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine
CID 134964751
6-Phenylsulfanylcyclohexa-2,4-dien-1-imine
CID 162397617
5-[1-(benzenesulfonyl)ethyl]-3,4-dihydro-2H-pyrrole
CID 10561864
phenyl N-methylethanimidothioate
CID 15707425
4-Phenylthiocyclohexanone Oxime
CID 20217861
N-(1-phenylsulfanylethyl)methanimine
CID 20684097

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine (CID 12791711) is 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine is CC1=NCCC(Sc2ccccc2)C1.
What is the InChIKey of 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine?
The InChIKey is SBJGIVMVCMETCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-10-9-12(7-8-13-10)14-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3.
What are the key properties of 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine?
6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine has a molecular weight of 205.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 12791711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).