5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine

C8H13NS — CID 89293783

IUPAC5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine
SMILESCS/C=C\C1=CCCNC1
InChIInChI=1S/C8H13NS/c1-10-6-4-8-3-2-5-9-7-8/h3-4,6,9H,2,5,7H2,1H3/b6-4-
InChIKeyZATAFACYRVKKMK-XQRVVYSFSA-N
MW155.27 g/mol
LogP1.78
Rot. Bonds2

About 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine

5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 89293783) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine
PubChem CID89293783
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine
SMILESCS/C=C\C1=CCCNC1
InChIInChI=1S/C8H13NS/c1-10-6-4-8-3-2-5-9-7-8/h3-4,6,9H,2,5,7H2,1H3/b6-4-
InChIKeyZATAFACYRVKKMK-XQRVVYSFSA-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 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine (CID 89293783) is 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine is CS/C=C\C1=CCCNC1.
What is the InChIKey of 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is ZATAFACYRVKKMK-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13NS/c1-10-6-4-8-3-2-5-9-7-8/h3-4,6,9H,2,5,7H2,1H3/b6-4-.
What are the key properties of 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine?
5-[(Z)-2-methylsulfanylethenyl]-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 5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89293783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).