(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C15H20N2O4S — CID 52544059

IUPAC(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O4S/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyGYLRTWBLDPJLEK-ZDUSSCGKSA-N
MW324.40 g/mol
LogP1.43
Rot. Bonds6

About (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 52544059) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID52544059
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O4S/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyGYLRTWBLDPJLEK-ZDUSSCGKSA-N
XLogP1.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 52544059) is (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O.
What is the InChIKey of (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is GYLRTWBLDPJLEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-22(20,21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 324.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 52544059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).