2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine

C14H16N2S2 — CID 3088793

IUPAC2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine
SMILESc1ccc(CCSSCCc2ccccn2)nc1
InChIInChI=1S/C14H16N2S2/c1-3-9-15-13(5-1)7-11-17-18-12-8-14-6-2-4-10-16-14/h1-6,9-10H,7-8,11-12H2
InChIKeyWTCYBKHKWMXJOG-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.64
Rot. Bonds7

About 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine

2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine (PubChem CID 3088793) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine
PubChem CID3088793
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine
SMILESc1ccc(CCSSCCc2ccccn2)nc1
InChIInChI=1S/C14H16N2S2/c1-3-9-15-13(5-1)7-11-17-18-12-8-14-6-2-4-10-16-14/h1-6,9-10H,7-8,11-12H2
InChIKeyWTCYBKHKWMXJOG-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine?
The IUPAC name of 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine (CID 3088793) is 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine?
The canonical SMILES for 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine is c1ccc(CCSSCCc2ccccn2)nc1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine?
The InChIKey is WTCYBKHKWMXJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-3-9-15-13(5-1)7-11-17-18-12-8-14-6-2-4-10-16-14/h1-6,9-10H,7-8,11-12H2.
What are the key properties of 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine?
2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine has a molecular weight of 276.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine is sourced from PubChem (CID 3088793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).