4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid

C4H7IN2O4S — CID 155214696

IUPAC4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid
SMILESCC1C(I)NC(=O)N1S(=O)(=O)O
InChIInChI=1S/C4H7IN2O4S/c1-2-3(5)6-4(8)7(2)12(9,10)11/h2-3H,1H3,(H,6,8)(H,9,10,11)
InChIKeyNJRVOPODKDLRPA-UHFFFAOYSA-N
MW306.08 g/mol
LogP-0.04
Rot. Bonds1

About 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid

4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid (PubChem CID 155214696) has the molecular formula C4H7IN2O4S and a molecular weight of 306.08 g/mol. Its IUPAC name is 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid.

Molecular Properties

Compound Name4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid
PubChem CID155214696
Molecular FormulaC4H7IN2O4S
Molecular Weight306.08 g/mol
Exact Mass305.92
IUPAC Name4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid
SMILESCC1C(I)NC(=O)N1S(=O)(=O)O
InChIInChI=1S/C4H7IN2O4S/c1-2-3(5)6-4(8)7(2)12(9,10)11/h2-3H,1H3,(H,6,8)(H,9,10,11)
InChIKeyNJRVOPODKDLRPA-UHFFFAOYSA-N
XLogP-0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid?
The IUPAC name of 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid (CID 155214696) is 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid.
What is the SMILES notation for 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid?
The canonical SMILES for 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid is CC1C(I)NC(=O)N1S(=O)(=O)O.
What is the InChIKey of 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid?
The InChIKey is NJRVOPODKDLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2O4S/c1-2-3(5)6-4(8)7(2)12(9,10)11/h2-3H,1H3,(H,6,8)(H,9,10,11).
What are the key properties of 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid?
4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid has a molecular weight of 306.08 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid is sourced from PubChem (CID 155214696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).