2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid

C7H16N2O4S — CID 19008585

IUPAC2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid
SMILESCC(O)C(N1CCNCC1)S(=O)(=O)O
InChIInChI=1S/C7H16N2O4S/c1-6(10)7(14(11,12)13)9-4-2-8-3-5-9/h6-8,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyZTAYDMYSTIZOML-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.51
Rot. Bonds3

About 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid

2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid (PubChem CID 19008585) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid
PubChem CID19008585
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid
SMILESCC(O)C(N1CCNCC1)S(=O)(=O)O
InChIInChI=1S/C7H16N2O4S/c1-6(10)7(14(11,12)13)9-4-2-8-3-5-9/h6-8,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyZTAYDMYSTIZOML-UHFFFAOYSA-N
XLogP-1.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.51
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-1-[4-(2-hydroxy-1-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid;dihydrate
CID 87180901
3-hydroxy-1-piperazin-1-ylbutane-2-sulfonic acid
CID 87724398
1-piperazin-1-ylethanol;propane-1-sulfonic acid
CID 22495055
3-ethyl-5-hydroxy-1-piperazin-1-ylhexane-1-sulfonic acid
CID 175177937
1-(1-methylsulfonylethyl)piperazine
CID 117037867
3-hydroxy-2-piperazin-1-ylbutanamide
CID 66898165
1-piperazin-1-ylpentane-1-sulfonic acid
CID 139490607
1-piperazin-1-ylpropane-1-sulfonic acid;trifluoromethanesulfonic acid
CID 175439279
1-propan-2-ylpiperazine;vanadium
CID 162375922
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
CID 163688577
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid?
The IUPAC name of 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid (CID 19008585) is 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid is CC(O)C(N1CCNCC1)S(=O)(=O)O.
What is the InChIKey of 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid?
The InChIKey is ZTAYDMYSTIZOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-6(10)7(14(11,12)13)9-4-2-8-3-5-9/h6-8,10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid?
2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid has a molecular weight of 224.28 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid is sourced from PubChem (CID 19008585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).