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

C16H22N2O2S — CID 2216630

IUPAC5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione
SMILESCc1ccc(SCCCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H22N2O2S/c1-12-6-8-13(9-7-12)21-11-5-4-10-18-14(19)16(2,3)17-15(18)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyAZLSGUPQRXNUNU-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.20
Rot. Bonds6

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

5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione (PubChem CID 2216630) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione
PubChem CID2216630
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione
SMILESCc1ccc(SCCCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H22N2O2S/c1-12-6-8-13(9-7-12)21-11-5-4-10-18-14(19)16(2,3)17-15(18)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyAZLSGUPQRXNUNU-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione (CID 2216630) is 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione is Cc1ccc(SCCCCN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione?
The InChIKey is AZLSGUPQRXNUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-6-8-13(9-7-12)21-11-5-4-10-18-14(19)16(2,3)17-15(18)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione has a molecular weight of 306.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(4-methylphenyl)sulfanylbutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2216630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).