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

C7H16N2O4S — CID 126476628

IUPAC(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
SMILESO=S(=O)(O)C[C@H](O)CN1CCNCC1
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-1.86
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
SMILESO=S(=O)(O)C[C@H](O)CN1CCNCC1
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-1.86
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid;dihydrate
CID 18528807
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214
2-hydroxy-3-pyrrolidin-1-ylpropane-1-sulfonic acid
CID 12046466
2-hydroxy-3-[4-(2-hydroxybutyl)piperazin-1-yl]propane-1-sulfonic acid
CID 156729822
3-hydroxy-1-piperazin-1-ylbutane-2-sulfonic acid
CID 87724398
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
3-(4-ethoxypiperazin-1-yl)-2-hydroxypropane-1-sulfonic acid;hydrate
CID 174976444
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-piperazin-1-ylheptan-2-ol
CID 70501156
ethanesulfonic acid;1-ethylpiperazine
CID 18427549
1-(methylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255603
(2S)-3-[4-(3-hydrazinyl-3-oxopropanoyl)piperazin-1-yl]-2-hydroxypropane-1-sulfonic acid
CID 2051357

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 O=S(=O)(O)C[C@H](O)CN1CCNCC1.
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 -1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 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).