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

C10H18N2O4S — CID 43557985

IUPAC3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)NC(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C10H18N2O4S/c1-10(2,3)12-8(13)7(11-9(12)14)5-6-17(4,15)16/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyACUSCDMUVMZPBR-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.14
Rot. Bonds3

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

3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 43557985) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID43557985
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)NC(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C10H18N2O4S/c1-10(2,3)12-8(13)7(11-9(12)14)5-6-17(4,15)16/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyACUSCDMUVMZPBR-UHFFFAOYSA-N
XLogP0.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4540304
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4832960
5-(2-Methanesulfonylethyl)imidazolidine-2,4-dione
CID 16226820
3-[3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethylazaniumyl]propane-1-sulfonate
CID 155542730
N-cyclohexyl-2-(8,8-dioxido-2,4-dioxo-8-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide
CID 91892499
5-Sec-butyl-3-(1,1-dioxidotetrahydro-3-thiophenyl)-2,4-imidazolidinedione
CID 137838300
(5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione
CID 164639235
[2-(2,5-Dioxoimidazolidin-4-yl)ethyl-dimethyl-lambda4-sulfanyl] methyl sulfate
CID 134995074
2-(2,5-Dioxoimidazolidin-4-yl)ethyl-dimethylsulfanium;methyl sulfate
CID 176443389
5-(2-Methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 115578460
2-(2,5-dioxoimidazolidin-4-yl)-N-methylethanesulfonamide
CID 312380
N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3519824

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 43557985) is 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CC(C)(C)N1C(=O)NC(CCS(C)(=O)=O)C1=O.
What is the InChIKey of 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is ACUSCDMUVMZPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-10(2,3)12-8(13)7(11-9(12)14)5-6-17(4,15)16/h7H,5-6H2,1-4H3,(H,11,14).
What are the key properties of 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 262.33 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43557985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).