2-(2-aminoethyldisulfanyl)ethanamine

C4H12N2S2 — CID 2915

IUPAC2-(2-aminoethyldisulfanyl)ethanamine
SMILESNCCSSCCN
InChIInChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
InChIKeyAPQPRKLAWCIJEK-UHFFFAOYSA-N
MW152.29 g/mol
LogP0.29
Rot. Bonds5

About 2-(2-aminoethyldisulfanyl)ethanamine

2-(2-aminoethyldisulfanyl)ethanamine (PubChem CID 2915) has the molecular formula C4H12N2S2 and a molecular weight of 152.29 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)ethanamine
PubChem CID2915
Molecular FormulaC4H12N2S2
Molecular Weight152.29 g/mol
Exact Mass152.04
IUPAC Name2-(2-aminoethyldisulfanyl)ethanamine
SMILESNCCSSCCN
InChIInChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
InChIKeyAPQPRKLAWCIJEK-UHFFFAOYSA-N
XLogP0.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
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-aminoethyldisulfanyl)ethanamine?
The IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine (CID 2915) is 2-(2-aminoethyldisulfanyl)ethanamine.
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)ethanamine?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)ethanamine is NCCSSCCN.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)ethanamine?
The InChIKey is APQPRKLAWCIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2.
What are the key properties of 2-(2-aminoethyldisulfanyl)ethanamine?
2-(2-aminoethyldisulfanyl)ethanamine has a molecular weight of 152.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)ethanamine is sourced from PubChem (CID 2915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).