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

C10H16N2O4S — CID 115927937

IUPAC3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C10H16N2O4S/c1-17(15,16)6-5-8-9(13)12(10(14)11-8)7-3-2-4-7/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyLYFCGJNYURIOLS-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.11
Rot. Bonds4

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

3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 115927937) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID115927937
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C10H16N2O4S/c1-17(15,16)6-5-8-9(13)12(10(14)11-8)7-3-2-4-7/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyLYFCGJNYURIOLS-UHFFFAOYSA-N
XLogP-0.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.11
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-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 115927937) is 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CS(=O)(=O)CCC1NC(=O)N(C2CCC2)C1=O.
What is the InChIKey of 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is LYFCGJNYURIOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-17(15,16)6-5-8-9(13)12(10(14)11-8)7-3-2-4-7/h7-8H,2-6H2,1H3,(H,11,14).
What are the key properties of 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 260.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 115927937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).