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

C6H11NS — CID 123530657

IUPAC4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1=CCNCC1
InChIInChI=1S/C6H11NS/c1-8-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3
InChIKeyWDAXUZZLAQAFBZ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.23
Rot. Bonds1

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

4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 123530657) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID123530657
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1=CCNCC1
InChIInChI=1S/C6H11NS/c1-8-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3
InChIKeyWDAXUZZLAQAFBZ-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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 123530657) is 4-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methylsulfanyl-1,2,3,6-tetrahydropyridine is CSC1=CCNCC1.
What is the InChIKey of 4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is WDAXUZZLAQAFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-8-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3.
What are the key properties of 4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
4-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 4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123530657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).