1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione

C7H12N2O4S — CID 79778127

IUPAC1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(CS(C)(=O)=O)N1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O4S/c1-5(4-14(2,12)13)9-3-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11)
InChIKeyXTHRBCMYUSSDBG-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.03
Rot. Bonds3

About 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione

1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione (PubChem CID 79778127) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione
PubChem CID79778127
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(CS(C)(=O)=O)N1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O4S/c1-5(4-14(2,12)13)9-3-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11)
InChIKeyXTHRBCMYUSSDBG-UHFFFAOYSA-N
XLogP-1.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.03
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 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione (CID 79778127) is 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione is CC(CS(C)(=O)=O)N1CC(=O)NC1=O.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione?
The InChIKey is XTHRBCMYUSSDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-5(4-14(2,12)13)9-3-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11).
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione?
1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione has a molecular weight of 220.25 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 79778127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).