5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione

C16H20N2O2S — CID 86783072

IUPAC5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione
SMILESCC(CN1C(=O)NC(C)(C2CC2)C1=O)Sc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-11(21-13-6-4-3-5-7-13)10-18-14(19)16(2,12-8-9-12)17-15(18)20/h3-7,11-12H,8-10H2,1-2H3,(H,17,20)
InChIKeyYYWRQLICJYFLRW-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.89
Rot. Bonds5

About 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione

5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione (PubChem CID 86783072) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione
PubChem CID86783072
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione
SMILESCC(CN1C(=O)NC(C)(C2CC2)C1=O)Sc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-11(21-13-6-4-3-5-7-13)10-18-14(19)16(2,12-8-9-12)17-15(18)20/h3-7,11-12H,8-10H2,1-2H3,(H,17,20)
InChIKeyYYWRQLICJYFLRW-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione (CID 86783072) is 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione is CC(CN1C(=O)NC(C)(C2CC2)C1=O)Sc1ccccc1.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione?
The InChIKey is YYWRQLICJYFLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(21-13-6-4-3-5-7-13)10-18-14(19)16(2,12-8-9-12)17-15(18)20/h3-7,11-12H,8-10H2,1-2H3,(H,17,20).
What are the key properties of 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione?
5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione has a molecular weight of 304.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 86783072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).