(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

C9H15NS — CID 89010970

IUPAC(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(SC)CCN[C@@H]1C
InChIInChI=1S/C9H15NS/c1-4-8-7(2)10-6-5-9(8)11-3/h4,7,10H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyHFKICJVEAUOJBV-SSDOTTSWSA-N
MW169.29 g/mol
LogP2.17
Rot. Bonds2

About (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 89010970) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID89010970
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(SC)CCN[C@@H]1C
InChIInChI=1S/C9H15NS/c1-4-8-7(2)10-6-5-9(8)11-3/h4,7,10H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyHFKICJVEAUOJBV-SSDOTTSWSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 89010970) is (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is C=CC1=C(SC)CCN[C@@H]1C.
What is the InChIKey of (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is HFKICJVEAUOJBV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-8-7(2)10-6-5-9(8)11-3/h4,7,10H,1,5-6H2,2-3H3/t7-/m1/s1.
What are the key properties of (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 169.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89010970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).