5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

C11H12N2O4S — CID 16785364

IUPAC5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(S(C)(=O)=O)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H12N2O4S/c1-11(9(14)12-10(15)13-11)7-3-5-8(6-4-7)18(2,16)17/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyMRCYMBAGHCOXEX-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.14
Rot. Bonds2

About 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 16785364) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID16785364
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(S(C)(=O)=O)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H12N2O4S/c1-11(9(14)12-10(15)13-11)7-3-5-8(6-4-7)18(2,16)17/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyMRCYMBAGHCOXEX-UHFFFAOYSA-N
XLogP0.14
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (CID 16785364) is 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is CC1(c2ccc(S(C)(=O)=O)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is MRCYMBAGHCOXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-11(9(14)12-10(15)13-11)7-3-5-8(6-4-7)18(2,16)17/h3-6H,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 268.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 16785364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).