2-azaniumylethylazanium sulfate

C2H10N2O4S — CID 57485390

IUPAC2-azaniumylethylazanium sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)
InChIKeyBNZCDZDLTIHJAC-UHFFFAOYSA-N
MW158.18 g/mol
LogP-3.87
Rot. Bonds1

About 2-azaniumylethylazanium sulfate

2-azaniumylethylazanium sulfate (PubChem CID 57485390) has the molecular formula C2H10N2O4S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-azaniumylethylazanium sulfate.

Molecular Properties

Compound Name2-azaniumylethylazanium sulfate
PubChem CID57485390
Molecular FormulaC2H10N2O4S
Molecular Weight158.18 g/mol
Exact Mass158.04
IUPAC Name2-azaniumylethylazanium sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)
InChIKeyBNZCDZDLTIHJAC-UHFFFAOYSA-N
XLogP-3.87
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-3.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-azaniumylethylazanium sulfate?
The IUPAC name of 2-azaniumylethylazanium sulfate (CID 57485390) is 2-azaniumylethylazanium sulfate.
What is the SMILES notation for 2-azaniumylethylazanium sulfate?
The canonical SMILES for 2-azaniumylethylazanium sulfate is O=S(=O)([O-])[O-].[NH3+]CC[NH3+].
What is the InChIKey of 2-azaniumylethylazanium sulfate?
The InChIKey is BNZCDZDLTIHJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4).
What are the key properties of 2-azaniumylethylazanium sulfate?
2-azaniumylethylazanium sulfate has a molecular weight of 158.18 g/mol, XLogP of -3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium sulfate is sourced from PubChem (CID 57485390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).