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

C10H14N2S2 — CID 123842204

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 Name2-(2,3,4,5-tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine
PubChem CID123842204
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC Name2-(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
XLogP3.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Propyldisulfanyl)-2,3-dihydropyridine
CID 60024987
2-(2,3-Dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine
CID 123137850
2-(2,3-Dihydropyridin-2-yldisulfanyl)-2,3-dihydropyridine
CID 144974119
2-(2,3-Dihydropyridin-6-yldisulfanyl)-2,3-dihydropyridine
CID 163829527

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).