3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione

C8H14N2O4S — CID 103936214

IUPAC3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione
SMILESCC(C)(CN1C(=O)CNC1=O)S(C)(=O)=O
InChIInChI=1S/C8H14N2O4S/c1-8(2,15(3,13)14)5-10-6(11)4-9-7(10)12/h4-5H2,1-3H3,(H,9,12)
InChIKeyZFPJWMJFQXUTLS-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.64
Rot. Bonds3

About 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione

3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione (PubChem CID 103936214) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione
PubChem CID103936214
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione
SMILESCC(C)(CN1C(=O)CNC1=O)S(C)(=O)=O
InChIInChI=1S/C8H14N2O4S/c1-8(2,15(3,13)14)5-10-6(11)4-9-7(10)12/h4-5H2,1-3H3,(H,9,12)
InChIKeyZFPJWMJFQXUTLS-UHFFFAOYSA-N
XLogP-0.64
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.64
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 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione (CID 103936214) is 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione is CC(C)(CN1C(=O)CNC1=O)S(C)(=O)=O.
What is the InChIKey of 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione?
The InChIKey is ZFPJWMJFQXUTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-8(2,15(3,13)14)5-10-6(11)4-9-7(10)12/h4-5H2,1-3H3,(H,9,12).
What are the key properties of 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione?
3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione has a molecular weight of 234.28 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 103936214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).