2-(cyclohexyldisulfanyl)pyridine

C11H15NS2 — CID 14899157

IUPAC2-(cyclohexyldisulfanyl)pyridine
SMILESc1ccc(SSC2CCCCC2)nc1
InChIInChI=1S/C11H15NS2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11/h4-5,8-10H,1-3,6-7H2
InChIKeyMMPSGZVNSOGZCG-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.15
Rot. Bonds3

About 2-(cyclohexyldisulfanyl)pyridine

2-(cyclohexyldisulfanyl)pyridine (PubChem CID 14899157) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(cyclohexyldisulfanyl)pyridine.

Molecular Properties

Compound Name2-(cyclohexyldisulfanyl)pyridine
PubChem CID14899157
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Name2-(cyclohexyldisulfanyl)pyridine
SMILESc1ccc(SSC2CCCCC2)nc1
InChIInChI=1S/C11H15NS2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11/h4-5,8-10H,1-3,6-7H2
InChIKeyMMPSGZVNSOGZCG-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyldisulfanyl)pyridine?
The IUPAC name of 2-(cyclohexyldisulfanyl)pyridine (CID 14899157) is 2-(cyclohexyldisulfanyl)pyridine.
What is the SMILES notation for 2-(cyclohexyldisulfanyl)pyridine?
The canonical SMILES for 2-(cyclohexyldisulfanyl)pyridine is c1ccc(SSC2CCCCC2)nc1.
What is the InChIKey of 2-(cyclohexyldisulfanyl)pyridine?
The InChIKey is MMPSGZVNSOGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 2-(cyclohexyldisulfanyl)pyridine?
2-(cyclohexyldisulfanyl)pyridine has a molecular weight of 225.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyldisulfanyl)pyridine is sourced from PubChem (CID 14899157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).