3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C10H18N2O4S — CID 43401651

IUPAC3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C10H18N2O4S/c1-3-4-6-12-9(13)8(11-10(12)14)5-7-17(2,15)16/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyIIJJVHZQXZLCPR-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.14
Rot. Bonds6

About 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 43401651) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID43401651
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C10H18N2O4S/c1-3-4-6-12-9(13)8(11-10(12)14)5-7-17(2,15)16/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyIIJJVHZQXZLCPR-UHFFFAOYSA-N
XLogP0.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.14
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 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 43401651) is 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CCCCN1C(=O)NC(CCS(C)(=O)=O)C1=O.
What is the InChIKey of 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is IIJJVHZQXZLCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-4-6-12-9(13)8(11-10(12)14)5-7-17(2,15)16/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 262.33 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43401651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).