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

C9H15NS — CID 143839520

IUPAC5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(SC)CCNC1C
InChIInChI=1S/C9H15NS/c1-4-8-7(2)10-6-5-9(8)11-3/h4,7,10H,1,5-6H2,2-3H3
InChIKeyHFKICJVEAUOJBV-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.17
Rot. Bonds2

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

5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 143839520) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID143839520
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(SC)CCNC1C
InChIInChI=1S/C9H15NS/c1-4-8-7(2)10-6-5-9(8)11-3/h4,7,10H,1,5-6H2,2-3H3
InChIKeyHFKICJVEAUOJBV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 143839520) is 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is C=CC1=C(SC)CCNC1C.
What is the InChIKey of 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is HFKICJVEAUOJBV-UHFFFAOYSA-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.
What are the key properties of 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
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 5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143839520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).