2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine

C6H20N4S4 — CID 160817731

IUPAC2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine
SMILESNCCSSCCN.NCSSCN
InChIInChI=1S/C4H12N2S2.C2H8N2S2/c5-1-3-7-8-4-2-6;3-1-5-6-2-4/h1-6H2;1-4H2
InChIKeySFCVNNHIDJRCMV-UHFFFAOYSA-N
MW276.52 g/mol
LogP0.49
Rot. Bonds8

About 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine

2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine (PubChem CID 160817731) has the molecular formula C6H20N4S4 and a molecular weight of 276.52 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine.

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine
PubChem CID160817731
Molecular FormulaC6H20N4S4
Molecular Weight276.52 g/mol
Exact Mass276.06
IUPAC Name2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine
SMILESNCCSSCCN.NCSSCN
InChIInChI=1S/C4H12N2S2.C2H8N2S2/c5-1-3-7-8-4-2-6;3-1-5-6-2-4/h1-6H2;1-4H2
InChIKeySFCVNNHIDJRCMV-UHFFFAOYSA-N
XLogP0.49
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine?
The IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine (CID 160817731) is 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine.
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine is NCCSSCCN.NCSSCN.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine?
The InChIKey is SFCVNNHIDJRCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S2.C2H8N2S2/c5-1-3-7-8-4-2-6;3-1-5-6-2-4/h1-6H2;1-4H2.
What are the key properties of 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine?
2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine has a molecular weight of 276.52 g/mol, XLogP of 0.49, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine is sourced from PubChem (CID 160817731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).