5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine

C8H15NS — CID 117125581

IUPAC5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine
SMILESCSCCC1=CCCNC1
InChIInChI=1S/C8H15NS/c1-10-6-4-8-3-2-5-9-7-8/h3,9H,2,4-7H2,1H3
InChIKeyJEQRUDLOFZDNLR-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.66
Rot. Bonds3

About 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine

5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 117125581) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine
PubChem CID117125581
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine
SMILESCSCCC1=CCCNC1
InChIInChI=1S/C8H15NS/c1-10-6-4-8-3-2-5-9-7-8/h3,9H,2,4-7H2,1H3
InChIKeyJEQRUDLOFZDNLR-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine (CID 117125581) is 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine is CSCCC1=CCCNC1.
What is the InChIKey of 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is JEQRUDLOFZDNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-6-4-8-3-2-5-9-7-8/h3,9H,2,4-7H2,1H3.
What are the key properties of 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine?
5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 157.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 117125581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).