2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid

C4H14N2O4S3 — CID 12998627

IUPAC2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid
SMILESNCCSSCCN.O=S(=O)(O)O
InChIInChI=1S/C4H12N2S2.H2O4S/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H2,1,2,3,4)
InChIKeyXVCYODCCYCPADG-UHFFFAOYSA-N
MW250.37 g/mol
LogP-0.37
Rot. Bonds5

About 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid

2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid (PubChem CID 12998627) has the molecular formula C4H14N2O4S3 and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid.

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid
PubChem CID12998627
Molecular FormulaC4H14N2O4S3
Molecular Weight250.37 g/mol
Exact Mass250.01
IUPAC Name2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid
SMILESNCCSSCCN.O=S(=O)(O)O
InChIInChI=1S/C4H12N2S2.H2O4S/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H2,1,2,3,4)
InChIKeyXVCYODCCYCPADG-UHFFFAOYSA-N
XLogP-0.37
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid?
The IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid (CID 12998627) is 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid.
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid is NCCSSCCN.O=S(=O)(O)O.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid?
The InChIKey is XVCYODCCYCPADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S2.H2O4S/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H2,1,2,3,4).
What are the key properties of 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid?
2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid has a molecular weight of 250.37 g/mol, XLogP of -0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid is sourced from PubChem (CID 12998627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).