5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C8H11F3N2O4S — CID 115578460

IUPAC5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O4S/c1-18(16,17)3-2-5-6(14)13(7(15)12-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15)
InChIKeyHWRPOAAYKTXFFP-UHFFFAOYSA-N
MW288.25 g/mol
LogP-0.10
Rot. Bonds4

About 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 115578460) has the molecular formula C8H11F3N2O4S and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID115578460
Molecular FormulaC8H11F3N2O4S
Molecular Weight288.25 g/mol
Exact Mass288.04
IUPAC Name5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O4S/c1-18(16,17)3-2-5-6(14)13(7(15)12-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15)
InChIKeyHWRPOAAYKTXFFP-UHFFFAOYSA-N
XLogP-0.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 115578460) is 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is CS(=O)(=O)CCC1NC(=O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is HWRPOAAYKTXFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4S/c1-18(16,17)3-2-5-6(14)13(7(15)12-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,15).
What are the key properties of 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 288.25 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 115578460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).