2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine

C7H12N2S2 — CID 118675775

IUPAC2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine
SMILESNCCSSC1=NCCC=C1
InChIInChI=1S/C7H12N2S2/c8-4-6-10-11-7-3-1-2-5-9-7/h1,3H,2,4-6,8H2
InChIKeyGEZPLGHXOWPIHG-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.68
Rot. Bonds3

About 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine

2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine (PubChem CID 118675775) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine
PubChem CID118675775
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine
SMILESNCCSSC1=NCCC=C1
InChIInChI=1S/C7H12N2S2/c8-4-6-10-11-7-3-1-2-5-9-7/h1,3H,2,4-6,8H2
InChIKeyGEZPLGHXOWPIHG-UHFFFAOYSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine?
The IUPAC name of 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine (CID 118675775) is 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine is NCCSSC1=NCCC=C1.
What is the InChIKey of 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine?
The InChIKey is GEZPLGHXOWPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c8-4-6-10-11-7-3-1-2-5-9-7/h1,3H,2,4-6,8H2.
What are the key properties of 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine?
2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine has a molecular weight of 188.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-6-yldisulfanyl)ethanamine is sourced from PubChem (CID 118675775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).