diazanium;ethane-1,2-diol;sulfate

C2H14N2O6S — CID 21328662

IUPACdiazanium;ethane-1,2-diol;sulfate
SMILESO=S(=O)([O-])[O-].OCCO.[NH4+].[NH4+]
InChIInChI=1S/C2H6O2.2H3N.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;2*1H3;(H2,1,2,3,4)
InChIKeyRNVSMKZRHNASFT-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.61
Rot. Bonds1

About diazanium;ethane-1,2-diol;sulfate

diazanium;ethane-1,2-diol;sulfate (PubChem CID 21328662) has the molecular formula C2H14N2O6S and a molecular weight of 194.21 g/mol. Its IUPAC name is diazanium;ethane-1,2-diol;sulfate.

Molecular Properties

Compound Namediazanium;ethane-1,2-diol;sulfate
PubChem CID21328662
Molecular FormulaC2H14N2O6S
Molecular Weight194.21 g/mol
Exact Mass194.06
IUPAC Namediazanium;ethane-1,2-diol;sulfate
SMILESO=S(=O)([O-])[O-].OCCO.[NH4+].[NH4+]
InChIInChI=1S/C2H6O2.2H3N.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;2*1H3;(H2,1,2,3,4)
InChIKeyRNVSMKZRHNASFT-UHFFFAOYSA-N
XLogP-1.61
TPSA193.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of diazanium;ethane-1,2-diol;sulfate?
The IUPAC name of diazanium;ethane-1,2-diol;sulfate (CID 21328662) is diazanium;ethane-1,2-diol;sulfate.
What is the SMILES notation for diazanium;ethane-1,2-diol;sulfate?
The canonical SMILES for diazanium;ethane-1,2-diol;sulfate is O=S(=O)([O-])[O-].OCCO.[NH4+].[NH4+].
What is the InChIKey of diazanium;ethane-1,2-diol;sulfate?
The InChIKey is RNVSMKZRHNASFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.2H3N.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;2*1H3;(H2,1,2,3,4).
What are the key properties of diazanium;ethane-1,2-diol;sulfate?
diazanium;ethane-1,2-diol;sulfate has a molecular weight of 194.21 g/mol, XLogP of -1.61, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;ethane-1,2-diol;sulfate is sourced from PubChem (CID 21328662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).