ethanesulfonic acid;piperazine;propane-1,2,3-triol

C9H24N2O6S — CID 174867794

IUPACethanesulfonic acid;piperazine;propane-1,2,3-triol
SMILESC1CNCCN1.CCS(=O)(=O)O.OCC(O)CO
InChIInChI=1S/C4H10N2.C3H8O3.C2H6O3S/c1-2-6-4-3-5-1;4-1-3(6)2-5;1-2-6(3,4)5/h5-6H,1-4H2;3-6H,1-2H2;2H2,1H3,(H,3,4,5)
InChIKeyWMVDRFUUNHFWAM-UHFFFAOYSA-N
MW288.37 g/mol
LogP-2.59
Rot. Bonds3

About ethanesulfonic acid;piperazine;propane-1,2,3-triol

ethanesulfonic acid;piperazine;propane-1,2,3-triol (PubChem CID 174867794) has the molecular formula C9H24N2O6S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethanesulfonic acid;piperazine;propane-1,2,3-triol.

Molecular Properties

Compound Nameethanesulfonic acid;piperazine;propane-1,2,3-triol
PubChem CID174867794
Molecular FormulaC9H24N2O6S
Molecular Weight288.37 g/mol
Exact Mass288.14
IUPAC Nameethanesulfonic acid;piperazine;propane-1,2,3-triol
SMILESC1CNCCN1.CCS(=O)(=O)O.OCC(O)CO
InChIInChI=1S/C4H10N2.C3H8O3.C2H6O3S/c1-2-6-4-3-5-1;4-1-3(6)2-5;1-2-6(3,4)5/h5-6H,1-4H2;3-6H,1-2H2;2H2,1H3,(H,3,4,5)
InChIKeyWMVDRFUUNHFWAM-UHFFFAOYSA-N
XLogP-2.59
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 5-2.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;piperazine;propane-1,2,3-triol?
The IUPAC name of ethanesulfonic acid;piperazine;propane-1,2,3-triol (CID 174867794) is ethanesulfonic acid;piperazine;propane-1,2,3-triol.
What is the SMILES notation for ethanesulfonic acid;piperazine;propane-1,2,3-triol?
The canonical SMILES for ethanesulfonic acid;piperazine;propane-1,2,3-triol is C1CNCCN1.CCS(=O)(=O)O.OCC(O)CO.
What is the InChIKey of ethanesulfonic acid;piperazine;propane-1,2,3-triol?
The InChIKey is WMVDRFUUNHFWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H8O3.C2H6O3S/c1-2-6-4-3-5-1;4-1-3(6)2-5;1-2-6(3,4)5/h5-6H,1-4H2;3-6H,1-2H2;2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid;piperazine;propane-1,2,3-triol?
ethanesulfonic acid;piperazine;propane-1,2,3-triol has a molecular weight of 288.37 g/mol, XLogP of -2.59, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;piperazine;propane-1,2,3-triol is sourced from PubChem (CID 174867794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).