ethane-1,2-disulfonic acid;piperazine

C6H16N2O6S2 — CID 174840116

IUPACethane-1,2-disulfonic acid;piperazine
SMILESC1CNCCN1.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C4H10N2.C2H6O6S2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H,3,4,5)(H,6,7,8)
InChIKeyBXJPSGYRVBSVNL-UHFFFAOYSA-N
MW276.34 g/mol
LogP-2.06
Rot. Bonds3

About ethane-1,2-disulfonic acid;piperazine

ethane-1,2-disulfonic acid;piperazine (PubChem CID 174840116) has the molecular formula C6H16N2O6S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethane-1,2-disulfonic acid;piperazine.

Molecular Properties

Compound Nameethane-1,2-disulfonic acid;piperazine
PubChem CID174840116
Molecular FormulaC6H16N2O6S2
Molecular Weight276.34 g/mol
Exact Mass276.04
IUPAC Nameethane-1,2-disulfonic acid;piperazine
SMILESC1CNCCN1.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C4H10N2.C2H6O6S2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H,3,4,5)(H,6,7,8)
InChIKeyBXJPSGYRVBSVNL-UHFFFAOYSA-N
XLogP-2.06
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
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2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid
CID 87128284

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-disulfonic acid;piperazine?
The IUPAC name of ethane-1,2-disulfonic acid;piperazine (CID 174840116) is ethane-1,2-disulfonic acid;piperazine.
What is the SMILES notation for ethane-1,2-disulfonic acid;piperazine?
The canonical SMILES for ethane-1,2-disulfonic acid;piperazine is C1CNCCN1.O=S(=O)(O)CCS(=O)(=O)O.
What is the InChIKey of ethane-1,2-disulfonic acid;piperazine?
The InChIKey is BXJPSGYRVBSVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H6O6S2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H,3,4,5)(H,6,7,8).
What are the key properties of ethane-1,2-disulfonic acid;piperazine?
ethane-1,2-disulfonic acid;piperazine has a molecular weight of 276.34 g/mol, XLogP of -2.06, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-disulfonic acid;piperazine is sourced from PubChem (CID 174840116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).