5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione

C14H18N2O2S — CID 973322

IUPAC5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(SCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-10-4-6-11(7-5-10)19-9-8-16-12(17)14(2,3)15-13(16)18/h4-7H,8-9H2,1-3H3,(H,15,18)
InChIKeyUQAMCNMPDGQEJT-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.42
Rot. Bonds4

About 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 973322) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID973322
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(SCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-10-4-6-11(7-5-10)19-9-8-16-12(17)14(2,3)15-13(16)18/h4-7H,8-9H2,1-3H3,(H,15,18)
InChIKeyUQAMCNMPDGQEJT-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione (CID 973322) is 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione is Cc1ccc(SCCN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is UQAMCNMPDGQEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-4-6-11(7-5-10)19-9-8-16-12(17)14(2,3)15-13(16)18/h4-7H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 278.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 973322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).