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

C8H13NS — CID 175631024

IUPAC4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(SC)CNCC1
InChIInChI=1S/C8H13NS/c1-3-7-4-5-9-6-8(7)10-2/h3,9H,1,4-6H2,2H3
InChIKeyMGQPGWFWHAOYEU-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.78
Rot. Bonds2

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

4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 175631024) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID175631024
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(SC)CNCC1
InChIInChI=1S/C8H13NS/c1-3-7-4-5-9-6-8(7)10-2/h3,9H,1,4-6H2,2H3
InChIKeyMGQPGWFWHAOYEU-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 175631024) is 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine is C=CC1=C(SC)CNCC1.
What is the InChIKey of 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is MGQPGWFWHAOYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-7-4-5-9-6-8(7)10-2/h3,9H,1,4-6H2,2H3.
What are the key properties of 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine?
4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 155.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 175631024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).