bis(piperazin-1-ium);sulfate

C8H22N4O4S — CID 22446879

IUPACbis(piperazin-1-ium);sulfate
SMILESC1C[NH2+]CCN1.C1C[NH2+]CCN1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C4H10N2.H2O4S/c2*1-2-6-4-3-5-1;1-5(2,3)4/h2*5-6H,1-4H2;(H2,1,2,3,4)
InChIKeyWKDROHPCPSLGLA-UHFFFAOYSA-N
MW270.36 g/mol
LogP-5.03
Rot. Bonds

About bis(piperazin-1-ium);sulfate

bis(piperazin-1-ium);sulfate (PubChem CID 22446879) has the molecular formula C8H22N4O4S and a molecular weight of 270.36 g/mol. Its IUPAC name is bis(piperazin-1-ium);sulfate.

Molecular Properties

Compound Namebis(piperazin-1-ium);sulfate
PubChem CID22446879
Molecular FormulaC8H22N4O4S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Namebis(piperazin-1-ium);sulfate
SMILESC1C[NH2+]CCN1.C1C[NH2+]CCN1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C4H10N2.H2O4S/c2*1-2-6-4-3-5-1;1-5(2,3)4/h2*5-6H,1-4H2;(H2,1,2,3,4)
InChIKeyWKDROHPCPSLGLA-UHFFFAOYSA-N
XLogP-5.03
TPSA137.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-5.03
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 bis(piperazin-1-ium);sulfate?
The IUPAC name of bis(piperazin-1-ium);sulfate (CID 22446879) is bis(piperazin-1-ium);sulfate.
What is the SMILES notation for bis(piperazin-1-ium);sulfate?
The canonical SMILES for bis(piperazin-1-ium);sulfate is C1C[NH2+]CCN1.C1C[NH2+]CCN1.O=S(=O)([O-])[O-].
What is the InChIKey of bis(piperazin-1-ium);sulfate?
The InChIKey is WKDROHPCPSLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2.H2O4S/c2*1-2-6-4-3-5-1;1-5(2,3)4/h2*5-6H,1-4H2;(H2,1,2,3,4).
What are the key properties of bis(piperazin-1-ium);sulfate?
bis(piperazin-1-ium);sulfate has a molecular weight of 270.36 g/mol, XLogP of -5.03, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(piperazin-1-ium);sulfate is sourced from PubChem (CID 22446879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).