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

C9H13NS — CID 166952429

IUPAC4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CSC1=C(C=C)CCNC1
InChIInChI=1S/C9H13NS/c1-3-8-5-6-10-7-9(8)11-4-2/h3-4,10H,1-2,5-7H2
InChIKeyKATNYPSNZPFPPG-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.30
Rot. Bonds3

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

4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 166952429) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID166952429
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESC=CSC1=C(C=C)CCNC1
InChIInChI=1S/C9H13NS/c1-3-8-5-6-10-7-9(8)11-4-2/h3-4,10H,1-2,5-7H2
InChIKeyKATNYPSNZPFPPG-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine (CID 166952429) is 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine is C=CSC1=C(C=C)CCNC1.
What is the InChIKey of 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is KATNYPSNZPFPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-8-5-6-10-7-9(8)11-4-2/h3-4,10H,1-2,5-7H2.
What are the key properties of 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine?
4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 167.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-ethenylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 166952429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).