2-oxoimidazolidine-1,3-disulfonic acid

C3H6N2O7S2 — CID 172768243

IUPAC2-oxoimidazolidine-1,3-disulfonic acid
SMILESO=C1N(S(=O)(=O)O)CCN1S(=O)(=O)O
InChIInChI=1S/C3H6N2O7S2/c6-3-4(13(7,8)9)1-2-5(3)14(10,11)12/h1-2H2,(H,7,8,9)(H,10,11,12)
InChIKeyMPIVOAMRSBJLFV-UHFFFAOYSA-N
MW246.22 g/mol
LogP-1.67
Rot. Bonds2

About 2-oxoimidazolidine-1,3-disulfonic acid

2-oxoimidazolidine-1,3-disulfonic acid (PubChem CID 172768243) has the molecular formula C3H6N2O7S2 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-oxoimidazolidine-1,3-disulfonic acid.

Molecular Properties

Compound Name2-oxoimidazolidine-1,3-disulfonic acid
PubChem CID172768243
Molecular FormulaC3H6N2O7S2
Molecular Weight246.22 g/mol
Exact Mass245.96
IUPAC Name2-oxoimidazolidine-1,3-disulfonic acid
SMILESO=C1N(S(=O)(=O)O)CCN1S(=O)(=O)O
InChIInChI=1S/C3H6N2O7S2/c6-3-4(13(7,8)9)1-2-5(3)14(10,11)12/h1-2H2,(H,7,8,9)(H,10,11,12)
InChIKeyMPIVOAMRSBJLFV-UHFFFAOYSA-N
XLogP-1.67
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxoimidazolidine-1,3-disulfonic acid?
The IUPAC name of 2-oxoimidazolidine-1,3-disulfonic acid (CID 172768243) is 2-oxoimidazolidine-1,3-disulfonic acid.
What is the SMILES notation for 2-oxoimidazolidine-1,3-disulfonic acid?
The canonical SMILES for 2-oxoimidazolidine-1,3-disulfonic acid is O=C1N(S(=O)(=O)O)CCN1S(=O)(=O)O.
What is the InChIKey of 2-oxoimidazolidine-1,3-disulfonic acid?
The InChIKey is MPIVOAMRSBJLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O7S2/c6-3-4(13(7,8)9)1-2-5(3)14(10,11)12/h1-2H2,(H,7,8,9)(H,10,11,12).
What are the key properties of 2-oxoimidazolidine-1,3-disulfonic acid?
2-oxoimidazolidine-1,3-disulfonic acid has a molecular weight of 246.22 g/mol, XLogP of -1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoimidazolidine-1,3-disulfonic acid is sourced from PubChem (CID 172768243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).