ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid

C9H20N2O6S — CID 175358650

IUPACethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid
SMILESCCS(=O)(=O)O.O=C(O)N1CCN(CCO)CC1
InChIInChI=1S/C7H14N2O3.C2H6O3S/c10-6-5-8-1-3-9(4-2-8)7(11)12;1-2-6(3,4)5/h10H,1-6H2,(H,11,12);2H2,1H3,(H,3,4,5)
InChIKeyKEHUJEFNWGUHLQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP-0.83
Rot. Bonds3

About ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid

ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid (PubChem CID 175358650) has the molecular formula C9H20N2O6S and a molecular weight of 284.33 g/mol. Its IUPAC name is ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Nameethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid
PubChem CID175358650
Molecular FormulaC9H20N2O6S
Molecular Weight284.33 g/mol
Exact Mass284.10
IUPAC Nameethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid
SMILESCCS(=O)(=O)O.O=C(O)N1CCN(CCO)CC1
InChIInChI=1S/C7H14N2O3.C2H6O3S/c10-6-5-8-1-3-9(4-2-8)7(11)12;1-2-6(3,4)5/h10H,1-6H2,(H,11,12);2H2,1H3,(H,3,4,5)
InChIKeyKEHUJEFNWGUHLQ-UHFFFAOYSA-N
XLogP-0.83
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
CID 23831
1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester
CID 211442
2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonate
CID 3725082
[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonic acid
CID 18457607
Methyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
CID 15145736
HEPES sodium salt (HEPES-Na)
CID 16219412
Piperazine Impurity 56
CID 21715456
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethane-1,1-disulfonic acid
CID 87311373
2-(4-(2-Hydroxyethyl)-1-piperazinyl)ethanesulfonic acid hydrochloride (1:1)
CID 145727721
2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid
CID 155801606
CID 176730599
CID 176730599

Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid?
The IUPAC name of ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid (CID 175358650) is ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid?
The canonical SMILES for ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid is CCS(=O)(=O)O.O=C(O)N1CCN(CCO)CC1.
What is the InChIKey of ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid?
The InChIKey is KEHUJEFNWGUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.C2H6O3S/c10-6-5-8-1-3-9(4-2-8)7(11)12;1-2-6(3,4)5/h10H,1-6H2,(H,11,12);2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid?
ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid has a molecular weight of 284.33 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;4-(2-hydroxyethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175358650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).