bis(diethylazanium);sulfate

C8H24N2O4S — CID 23213341

IUPACbis(diethylazanium);sulfate
SMILESCC[NH2+]CC.CC[NH2+]CC.O=S(=O)([O-])[O-]
InChIInChI=1S/2C4H11N.H2O4S/c2*1-3-5-4-2;1-5(2,3)4/h2*5H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyQZZGOJPCSBTTHI-UHFFFAOYSA-N
MW244.36 g/mol
LogP-2.16
Rot. Bonds4

About bis(diethylazanium);sulfate

bis(diethylazanium);sulfate (PubChem CID 23213341) has the molecular formula C8H24N2O4S and a molecular weight of 244.36 g/mol. Its IUPAC name is bis(diethylazanium);sulfate.

Molecular Properties

Compound Namebis(diethylazanium);sulfate
PubChem CID23213341
Molecular FormulaC8H24N2O4S
Molecular Weight244.36 g/mol
Exact Mass244.15
IUPAC Namebis(diethylazanium);sulfate
SMILESCC[NH2+]CC.CC[NH2+]CC.O=S(=O)([O-])[O-]
InChIInChI=1S/2C4H11N.H2O4S/c2*1-3-5-4-2;1-5(2,3)4/h2*5H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyQZZGOJPCSBTTHI-UHFFFAOYSA-N
XLogP-2.16
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-2.16
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 bis(diethylazanium);sulfate?
The IUPAC name of bis(diethylazanium);sulfate (CID 23213341) is bis(diethylazanium);sulfate.
What is the SMILES notation for bis(diethylazanium);sulfate?
The canonical SMILES for bis(diethylazanium);sulfate is CC[NH2+]CC.CC[NH2+]CC.O=S(=O)([O-])[O-].
What is the InChIKey of bis(diethylazanium);sulfate?
The InChIKey is QZZGOJPCSBTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11N.H2O4S/c2*1-3-5-4-2;1-5(2,3)4/h2*5H,3-4H2,1-2H3;(H2,1,2,3,4).
What are the key properties of bis(diethylazanium);sulfate?
bis(diethylazanium);sulfate has a molecular weight of 244.36 g/mol, XLogP of -2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylazanium);sulfate is sourced from PubChem (CID 23213341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).