2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid

C4H15N2O4PS2 — CID 19981232

IUPAC2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid
SMILESNCCSSCCN.O=P(O)(O)O
InChIInChI=1S/C4H12N2S2.H3O4P/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H3,1,2,3,4)
InChIKeyORBQRWZNXSQZGT-UHFFFAOYSA-N
MW250.28 g/mol
LogP-0.64
Rot. Bonds5

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

2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid (PubChem CID 19981232) has the molecular formula C4H15N2O4PS2 and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid.

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid
PubChem CID19981232
Molecular FormulaC4H15N2O4PS2
Molecular Weight250.28 g/mol
Exact Mass250.02
IUPAC Name2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid
SMILESNCCSSCCN.O=P(O)(O)O
InChIInChI=1S/C4H12N2S2.H3O4P/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H3,1,2,3,4)
InChIKeyORBQRWZNXSQZGT-UHFFFAOYSA-N
XLogP-0.64
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phosphocysteamine
CID 2916
[1-Amino-3-[(3-amino-3-phosphono-propyl)disulfanyl]propyl]phosphonic acid
CID 338114
Cysteamine phosphate
CID 11286760
2-Aminoethylsulfanyl dihydrogen phosphate
CID 20510321
4-Aminobutylsulfanylphosphonic acid
CID 18756979
2-(2-Aminoethyldisulfanyl)ethanamine;aminophosphonic acid
CID 19604118
Sodium;2-aminoethanethiol;dihydrogen phosphate
CID 23687242
[2-(2-Aminoethyldisulfanyl)ethylamino]phosphonic acid
CID 53638938
[2-(2-Aminoethyldisulfanyl)ethylamino]oxyphosphonamidic acid
CID 53992982
4-Aminobutylsulfanyl-hydroxy-oxophosphanium
CID 57445603
3-Aminopropylsulfanyl(methylsulfanyl)phosphinic acid
CID 87844485
N-[2-(2-aminoethyldisulfanyl)ethyl]-tritiooxyphosphonamidic acid
CID 140918525

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid?
The IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid (CID 19981232) is 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid.
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid is NCCSSCCN.O=P(O)(O)O.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid?
The InChIKey is ORBQRWZNXSQZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S2.H3O4P/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H3,1,2,3,4).
What are the key properties of 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid?
2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid has a molecular weight of 250.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)ethanamine;phosphoric acid is sourced from PubChem (CID 19981232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).