ethanesulfonic acid;1-ethylpiperazine

C8H20N2O3S — CID 18427549

IUPACethanesulfonic acid;1-ethylpiperazine
SMILESCCN1CCNCC1.CCS(=O)(=O)O
InChIInChI=1S/C6H14N2.C2H6O3S/c1-2-8-5-3-7-4-6-8;1-2-6(3,4)5/h7H,2-6H2,1H3;2H2,1H3,(H,3,4,5)
InChIKeyIVUGLFYZMZMCLG-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.19
Rot. Bonds2

About ethanesulfonic acid;1-ethylpiperazine

ethanesulfonic acid;1-ethylpiperazine (PubChem CID 18427549) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is ethanesulfonic acid;1-ethylpiperazine.

Molecular Properties

Compound Nameethanesulfonic acid;1-ethylpiperazine
PubChem CID18427549
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Nameethanesulfonic acid;1-ethylpiperazine
SMILESCCN1CCNCC1.CCS(=O)(=O)O
InChIInChI=1S/C6H14N2.C2H6O3S/c1-2-8-5-3-7-4-6-8;1-2-6(3,4)5/h7H,2-6H2,1H3;2H2,1H3,(H,3,4,5)
InChIKeyIVUGLFYZMZMCLG-UHFFFAOYSA-N
XLogP-0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.19
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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1-ethylpiperazine;1-propan-2-ylpiperazine
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acetic acid;ethanesulfonic acid;1-ethoxypiperazine
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(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
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3-hydroxy-1-piperazin-1-ylbutane-2-sulfonic acid
CID 87724398
dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
CID 145139146
ethanesulfonic acid;piperazine;propane-1,2,3-triol
CID 174867794
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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;1-ethylpiperazine?
The IUPAC name of ethanesulfonic acid;1-ethylpiperazine (CID 18427549) is ethanesulfonic acid;1-ethylpiperazine.
What is the SMILES notation for ethanesulfonic acid;1-ethylpiperazine?
The canonical SMILES for ethanesulfonic acid;1-ethylpiperazine is CCN1CCNCC1.CCS(=O)(=O)O.
What is the InChIKey of ethanesulfonic acid;1-ethylpiperazine?
The InChIKey is IVUGLFYZMZMCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H6O3S/c1-2-8-5-3-7-4-6-8;1-2-6(3,4)5/h7H,2-6H2,1H3;2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid;1-ethylpiperazine?
ethanesulfonic acid;1-ethylpiperazine has a molecular weight of 224.33 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;1-ethylpiperazine is sourced from PubChem (CID 18427549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).