1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione

C11H20N2O4S — CID 99781574

IUPAC1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C11H20N2O4S/c1-9(2)7-12-8-10(14)13(11(12)15)5-4-6-18(3,16)17/h9H,4-8H2,1-3H3
InChIKeyJSFLCBWEGCSOAI-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.34
Rot. Bonds6

About 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione

1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione (PubChem CID 99781574) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione
PubChem CID99781574
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C11H20N2O4S/c1-9(2)7-12-8-10(14)13(11(12)15)5-4-6-18(3,16)17/h9H,4-8H2,1-3H3
InChIKeyJSFLCBWEGCSOAI-UHFFFAOYSA-N
XLogP0.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.34
H-Bond Donors ≤ 50
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-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione (CID 99781574) is 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione is CC(C)CN1CC(=O)N(CCCS(C)(=O)=O)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione?
The InChIKey is JSFLCBWEGCSOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9(2)7-12-8-10(14)13(11(12)15)5-4-6-18(3,16)17/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione?
1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione has a molecular weight of 276.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 99781574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).