2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine

Name: 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₄N₂S₂ — CID 123842204

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine

SMILESC1=CCC(SSC2CCCC=N2)N=C1

InChIInChI=1S/C10H14N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1,3,7-10H,2,4-6H2

InChIKeyAQXRGUFVADRCMX-UHFFFAOYSA-N

MW226.37 g/mol

LogP3.31

Rot. Bonds3

About 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine

2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine (PubChem CID 123842204) has the molecular formula C₁₀H₁₄N₂S₂ and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name	2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine
PubChem CID	123842204
Molecular Formula	C₁₀H₁₄N₂S₂
Molecular Weight	226.37 g/mol
Exact Mass	226.06
IUPAC Name	2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine
SMILES	C1=CCC(SSC2CCCC=N2)N=C1
InChI	InChI=1S/C10H14N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1,3,7-10H,2,4-6H2
InChIKey	AQXRGUFVADRCMX-UHFFFAOYSA-N
XLogP	3.31
TPSA	24.72 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.37
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine?

The IUPAC name of 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine (CID 123842204) is 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine.

What is the SMILES notation for 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine?

The canonical SMILES for 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine is C1=CCC(SSC2CCCC=N2)N=C1.

What is the InChIKey of 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine?

The InChIKey is AQXRGUFVADRCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1,3,7-10H,2,4-6H2.

What are the key properties of 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine?

2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine has a molecular weight of 226.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine is sourced from PubChem (CID 123842204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123842204 — identifiers, structure, computed properties (public domain)

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