ethanesulfonic acid;piperazine

C8H22N2O6S2 — CID 22263240

IUPACethanesulfonic acid;piperazine
SMILESC1CNCCN1.CCS(=O)(=O)O.CCS(=O)(=O)O
InChIInChI=1S/C4H10N2.2C2H6O3S/c1-2-6-4-3-5-1;2*1-2-6(3,4)5/h5-6H,1-4H2;2*2H2,1H3,(H,3,4,5)
InChIKeyLKKJLUGBHZNOHT-UHFFFAOYSA-N
MW306.41 g/mol
LogP-1.03
Rot. Bonds2

About ethanesulfonic acid;piperazine

ethanesulfonic acid;piperazine (PubChem CID 22263240) has the molecular formula C8H22N2O6S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethanesulfonic acid;piperazine.

Molecular Properties

Compound Nameethanesulfonic acid;piperazine
PubChem CID22263240
Molecular FormulaC8H22N2O6S2
Molecular Weight306.41 g/mol
Exact Mass306.09
IUPAC Nameethanesulfonic acid;piperazine
SMILESC1CNCCN1.CCS(=O)(=O)O.CCS(=O)(=O)O
InChIInChI=1S/C4H10N2.2C2H6O3S/c1-2-6-4-3-5-1;2*1-2-6(3,4)5/h5-6H,1-4H2;2*2H2,1H3,(H,3,4,5)
InChIKeyLKKJLUGBHZNOHT-UHFFFAOYSA-N
XLogP-1.03
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-1.03
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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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;piperazine?
The IUPAC name of ethanesulfonic acid;piperazine (CID 22263240) is ethanesulfonic acid;piperazine.
What is the SMILES notation for ethanesulfonic acid;piperazine?
The canonical SMILES for ethanesulfonic acid;piperazine is C1CNCCN1.CCS(=O)(=O)O.CCS(=O)(=O)O.
What is the InChIKey of ethanesulfonic acid;piperazine?
The InChIKey is LKKJLUGBHZNOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2C2H6O3S/c1-2-6-4-3-5-1;2*1-2-6(3,4)5/h5-6H,1-4H2;2*2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid;piperazine?
ethanesulfonic acid;piperazine has a molecular weight of 306.41 g/mol, XLogP of -1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;piperazine is sourced from PubChem (CID 22263240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).