ethane-1,2-diamine sulfate

C2H8N2O4S-2 — CID 22269523

IUPACethane-1,2-diamine sulfate
SMILESNCCN.O=S(=O)([O-])[O-]
InChIInChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)/p-2
InChIKeyBNZCDZDLTIHJAC-UHFFFAOYSA-L
MW156.16 g/mol
LogP-2.43
Rot. Bonds1

About ethane-1,2-diamine sulfate

ethane-1,2-diamine sulfate (PubChem CID 22269523) has the molecular formula C2H8N2O4S-2 and a molecular weight of 156.16 g/mol. Its IUPAC name is ethane-1,2-diamine sulfate.

Molecular Properties

Compound Nameethane-1,2-diamine sulfate
PubChem CID22269523
Molecular FormulaC2H8N2O4S-2
Molecular Weight156.16 g/mol
Exact Mass156.02
IUPAC Nameethane-1,2-diamine sulfate
SMILESNCCN.O=S(=O)([O-])[O-]
InChIInChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)/p-2
InChIKeyBNZCDZDLTIHJAC-UHFFFAOYSA-L
XLogP-2.43
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethylenediammonium sulfate
CID 168015
1,2-Ethanediamine, sulfate
CID 33149
Nickel(2+), bis(1,2-ethanediamine-kappaN1,kappaN2)-, sulfate (1:1)
CID 167977
Sulfuric acid, iron(2+) salt, compd. with 1,2-ethanediamine (2:1:1)
CID 25021683
Palladium(2+), bis(1,2-ethanediamine-kappaN1,kappaN2)-, (SP-4-1)-, sulfate (1:1)
CID 75124207
(2-Aminoethyl)(sulfamoyl)amine hydrochloride
CID 129017650
2-Azaniumylethylazanium sulfate
CID 57485390
(2-Aminoethyl)(methylsulfamoyl)amine
CID 104041559
Iron(II)EthylenediammoniumSulfate
CID 11289852
Sulfonyl ethylenediamine
CID 23200906
Ethylenediammonium sulfate tetrahydrate
CID 23289076
Copper(2+), bis(1,2-ethanediamine-kappaN,kappaN')-, sulfate (1:1)
CID 13102292

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine sulfate?
The IUPAC name of ethane-1,2-diamine sulfate (CID 22269523) is ethane-1,2-diamine sulfate.
What is the SMILES notation for ethane-1,2-diamine sulfate?
The canonical SMILES for ethane-1,2-diamine sulfate is NCCN.O=S(=O)([O-])[O-].
What is the InChIKey of ethane-1,2-diamine sulfate?
The InChIKey is BNZCDZDLTIHJAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)/p-2.
What are the key properties of ethane-1,2-diamine sulfate?
ethane-1,2-diamine sulfate has a molecular weight of 156.16 g/mol, XLogP of -2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine sulfate is sourced from PubChem (CID 22269523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).