2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid

C8H18N2O4S — CID 155801606

IUPAC2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid
SMILESO=S(O)CCN1CCN(CCO)C[C@H]1O
InChIInChI=1S/C8H18N2O4S/c11-5-3-9-1-2-10(8(12)7-9)4-6-15(13)14/h8,11-12H,1-7H2,(H,13,14)/t8-/m1/s1
InChIKeyVANSQPQGDBVERQ-MRVPVSSYSA-N
MW238.31 g/mol
LogP-1.86
Rot. Bonds5

About 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid

2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid (PubChem CID 155801606) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid
PubChem CID155801606
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid
SMILESO=S(O)CCN1CCN(CCO)C[C@H]1O
InChIInChI=1S/C8H18N2O4S/c11-5-3-9-1-2-10(8(12)7-9)4-6-15(13)14/h8,11-12H,1-7H2,(H,13,14)/t8-/m1/s1
InChIKeyVANSQPQGDBVERQ-MRVPVSSYSA-N
XLogP-1.86
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic 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
Hepps
CID 85255
Sodium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate
CID 2724248
1,4-Piperazinedipropanesulfonic acid, beta1,beta4-dihydroxy-
CID 109211
1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
CID 100205
2-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate
CID 23830
Hepbs
CID 9965191
HEPPSO hydrate
CID 20055623
2-[4-(2-Hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonate
CID 3275884
N-(2-Hydroxyethyl)piperazine-N'-(2-hydroxypropanesulfonic acid)
CID 23706675
N-2-hydroxyethylpiperazine-N'-ethanesulfenic acid
CID 56951873
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonate
CID 3725082

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid?
The IUPAC name of 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid (CID 155801606) is 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid.
What is the SMILES notation for 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid?
The canonical SMILES for 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid is O=S(O)CCN1CCN(CCO)C[C@H]1O.
What is the InChIKey of 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid?
The InChIKey is VANSQPQGDBVERQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c11-5-3-9-1-2-10(8(12)7-9)4-6-15(13)14/h8,11-12H,1-7H2,(H,13,14)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid?
2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid has a molecular weight of 238.31 g/mol, XLogP of -1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfinic acid is sourced from PubChem (CID 155801606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).