2,5-dioxoimidazolidine-1-sulfonic acid

C3H4N2O5S — CID 67119143

IUPAC2,5-dioxoimidazolidine-1-sulfonic acid
SMILESO=C1CNC(=O)N1S(=O)(=O)O
InChIInChI=1S/C3H4N2O5S/c6-2-1-4-3(7)5(2)11(8,9)10/h1H2,(H,4,7)(H,8,9,10)
InChIKeyONAKLUOXWARQIE-UHFFFAOYSA-N
MW180.14 g/mol
LogP-1.66
Rot. Bonds1

About 2,5-dioxoimidazolidine-1-sulfonic acid

2,5-dioxoimidazolidine-1-sulfonic acid (PubChem CID 67119143) has the molecular formula C3H4N2O5S and a molecular weight of 180.14 g/mol. Its IUPAC name is 2,5-dioxoimidazolidine-1-sulfonic acid.

Molecular Properties

Compound Name2,5-dioxoimidazolidine-1-sulfonic acid
PubChem CID67119143
Molecular FormulaC3H4N2O5S
Molecular Weight180.14 g/mol
Exact Mass179.98
IUPAC Name2,5-dioxoimidazolidine-1-sulfonic acid
SMILESO=C1CNC(=O)N1S(=O)(=O)O
InChIInChI=1S/C3H4N2O5S/c6-2-1-4-3(7)5(2)11(8,9)10/h1H2,(H,4,7)(H,8,9,10)
InChIKeyONAKLUOXWARQIE-UHFFFAOYSA-N
XLogP-1.66
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylimidazolidine-2,4-dione;molecular hydrogen
CID 165132558
3-(chloromethyl)imidazolidine-2,4-dione
CID 55286294
3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione
CID 103936214
3-chloro-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 39841814
2-oxoimidazolidine-1,3-disulfonic acid
CID 172768243
1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione
CID 123951298
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
CID 106186467
3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione
CID 106211085
3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 121160272
sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride
CID 175400890
3-piperidin-1-ylimidazolidine-2,4-dione
CID 107842327

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxoimidazolidine-1-sulfonic acid?
The IUPAC name of 2,5-dioxoimidazolidine-1-sulfonic acid (CID 67119143) is 2,5-dioxoimidazolidine-1-sulfonic acid.
What is the SMILES notation for 2,5-dioxoimidazolidine-1-sulfonic acid?
The canonical SMILES for 2,5-dioxoimidazolidine-1-sulfonic acid is O=C1CNC(=O)N1S(=O)(=O)O.
What is the InChIKey of 2,5-dioxoimidazolidine-1-sulfonic acid?
The InChIKey is ONAKLUOXWARQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O5S/c6-2-1-4-3(7)5(2)11(8,9)10/h1H2,(H,4,7)(H,8,9,10).
What are the key properties of 2,5-dioxoimidazolidine-1-sulfonic acid?
2,5-dioxoimidazolidine-1-sulfonic acid has a molecular weight of 180.14 g/mol, XLogP of -1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxoimidazolidine-1-sulfonic acid is sourced from PubChem (CID 67119143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).