1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione

C17H22N2O5S — CID 167771868

IUPAC1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1ccc(C(O)CN2C(=O)CN(C3CCCC3)C2=O)cc1
InChIInChI=1S/C17H22N2O5S/c1-25(23,24)14-8-6-12(7-9-14)15(20)10-19-16(21)11-18(17(19)22)13-4-2-3-5-13/h6-9,13,15,20H,2-5,10-11H2,1H3
InChIKeyJQUZLNLZPLJFGO-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.33
Rot. Bonds5

About 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione

1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 167771868) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID167771868
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)c1ccc(C(O)CN2C(=O)CN(C3CCCC3)C2=O)cc1
InChIInChI=1S/C17H22N2O5S/c1-25(23,24)14-8-6-12(7-9-14)15(20)10-19-16(21)11-18(17(19)22)13-4-2-3-5-13/h6-9,13,15,20H,2-5,10-11H2,1H3
InChIKeyJQUZLNLZPLJFGO-UHFFFAOYSA-N
XLogP1.33
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione (CID 167771868) is 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione is CS(=O)(=O)c1ccc(C(O)CN2C(=O)CN(C3CCCC3)C2=O)cc1.
What is the InChIKey of 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is JQUZLNLZPLJFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-25(23,24)14-8-6-12(7-9-14)15(20)10-19-16(21)11-18(17(19)22)13-4-2-3-5-13/h6-9,13,15,20H,2-5,10-11H2,1H3.
What are the key properties of 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 366.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167771868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).