piperazine-1,4-disulfonic acid

C4H10N2O6S2 — CID 66863185

IUPACpiperazine-1,4-disulfonic acid
SMILESO=S(=O)(O)N1CCN(S(=O)(=O)O)CC1
InChIInChI=1S/C4H10N2O6S2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H2,(H,7,8,9)(H,10,11,12)
InChIKeyXUPVKHGAWSNNAV-UHFFFAOYSA-N
MW246.27 g/mol
LogP-1.79
Rot. Bonds2

About piperazine-1,4-disulfonic acid

piperazine-1,4-disulfonic acid (PubChem CID 66863185) has the molecular formula C4H10N2O6S2 and a molecular weight of 246.27 g/mol. Its IUPAC name is piperazine-1,4-disulfonic acid.

Molecular Properties

Compound Namepiperazine-1,4-disulfonic acid
PubChem CID66863185
Molecular FormulaC4H10N2O6S2
Molecular Weight246.27 g/mol
Exact Mass246.00
IUPAC Namepiperazine-1,4-disulfonic acid
SMILESO=S(=O)(O)N1CCN(S(=O)(=O)O)CC1
InChIInChI=1S/C4H10N2O6S2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H2,(H,7,8,9)(H,10,11,12)
InChIKeyXUPVKHGAWSNNAV-UHFFFAOYSA-N
XLogP-1.79
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-methylimidazolidin-3-ium-1-sulfonic acid
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N,N-dimethylformamide;piperazine-1-sulfonic acid
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2-oxoimidazolidine-1,3-disulfonic acid
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hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
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1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
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Frequently Asked Questions

What is the IUPAC name of piperazine-1,4-disulfonic acid?
The IUPAC name of piperazine-1,4-disulfonic acid (CID 66863185) is piperazine-1,4-disulfonic acid.
What is the SMILES notation for piperazine-1,4-disulfonic acid?
The canonical SMILES for piperazine-1,4-disulfonic acid is O=S(=O)(O)N1CCN(S(=O)(=O)O)CC1.
What is the InChIKey of piperazine-1,4-disulfonic acid?
The InChIKey is XUPVKHGAWSNNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O6S2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H2,(H,7,8,9)(H,10,11,12).
What are the key properties of piperazine-1,4-disulfonic acid?
piperazine-1,4-disulfonic acid has a molecular weight of 246.27 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,4-disulfonic acid is sourced from PubChem (CID 66863185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).