2-methylsulfanyl-1,2,3,6-tetrahydropyridine

C6H11NS — CID 123468671

IUPAC2-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1CC=CCN1
InChIInChI=1S/C6H11NS/c1-8-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyWUNKZNQAFWJONC-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.23
Rot. Bonds1

About 2-methylsulfanyl-1,2,3,6-tetrahydropyridine

2-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 123468671) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID123468671
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1CC=CCN1
InChIInChI=1S/C6H11NS/c1-8-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyWUNKZNQAFWJONC-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
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(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
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(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
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4-Methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123530657
1,2,3,6-Tetrahydropyridine-6-thiol
CID 129179913
(6S)-1,2,3,6-tetrahydropyridine-6-thiol
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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 123468671) is 2-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methylsulfanyl-1,2,3,6-tetrahydropyridine is CSC1CC=CCN1.
What is the InChIKey of 2-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is WUNKZNQAFWJONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-methylsulfanyl-1,2,3,6-tetrahydropyridine?
2-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 129.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123468671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).