(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid

C7H16N2O4S — CID 126476628

IUPAC(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
SMILESC1CN(CCN1)C[C@H](CS(=O)(=O)O)O
InChIInChI=1S/C7H16N2O4S/c10-7(6-14(11,12)13)5-9-3-1-8-2-4-9/h7-8,10H,1-6H2,(H,11,12,13)/t7-/m1/s1
InChIKeyGSIJELIJPWMEGH-SSDOTTSWSA-N
MW224.28 g/mol
LogP-4.40
Rot. Bonds4

About (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid

(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid (PubChem CID 126476628) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
PubChem CID126476628
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
SMILESC1CN(CCN1)C[C@H](CS(=O)(=O)O)O
InChIInChI=1S/C7H16N2O4S/c10-7(6-14(11,12)13)5-9-3-1-8-2-4-9/h7-8,10H,1-6H2,(H,11,12,13)/t7-/m1/s1
InChIKeyGSIJELIJPWMEGH-SSDOTTSWSA-N
XLogP-4.40
TPSA98.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity255

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-4.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic 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

Hepps
CID 85255
1,4-Piperazinedipropanesulfonic acid, beta1,beta4-dihydroxy-
CID 109211
1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
CID 100205
HEPPSO hydrate
CID 20055623
2-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate
CID 23830
N-(2-Hydroxyethyl)piperazine-N'-(2-hydroxypropanesulfonic acid)
CID 23706675
2-[4-(2-Hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonate
CID 3275884
(2r)-2-Hydroxy-3-[4-(2-Hydroxyethyl)piperazin-1-Yl]propane-1-Sulfonic Acid
CID 6992825
2-Hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
CID 10125349
2-[1-(2-Hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonic acid
CID 18937506
3-Hydroxy-4-piperazin-1-ylbutane-1-sulfonic acid
CID 19927349
1-[1-(2-Hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonic acid
CID 21966529

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid?
The IUPAC name of (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid (CID 126476628) is (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid?
The canonical SMILES for (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid is C1CN(CCN1)C[C@H](CS(=O)(=O)O)O.
What is the InChIKey of (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid?
The InChIKey is GSIJELIJPWMEGH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O4S/c10-7(6-14(11,12)13)5-9-3-1-8-2-4-9/h7-8,10H,1-6H2,(H,11,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid?
(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid has a molecular weight of 224.28 g/mol, XLogP of -4.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid is sourced from PubChem (CID 126476628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).