5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one

C16H25NO3SSi — CID 10569108

IUPAC5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one
SMILESCCC1CC([Si](C)(C)C)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO3SSi/c1-6-13-11-15(22(3,4)5)16(18)17(13)21(19,20)14-9-7-12(2)8-10-14/h7-10,13,15H,6,11H2,1-5H3
InChIKeyDGUNZCNOQGISHU-UHFFFAOYSA-N
MW339.53 g/mol
LogP3.40
Rot. Bonds4

About 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one

5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one (PubChem CID 10569108) has the molecular formula C16H25NO3SSi and a molecular weight of 339.53 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one
PubChem CID10569108
Molecular FormulaC16H25NO3SSi
Molecular Weight339.53 g/mol
Exact Mass339.13
IUPAC Name5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one
SMILESCCC1CC([Si](C)(C)C)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO3SSi/c1-6-13-11-15(22(3,4)5)16(18)17(13)21(19,20)14-9-7-12(2)8-10-14/h7-10,13,15H,6,11H2,1-5H3
InChIKeyDGUNZCNOQGISHU-UHFFFAOYSA-N
XLogP3.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
N-ethyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 2971751
N-isopropyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 978022
N-cyclopentyl-3-{4-[(ethylamino)sulfonyl]phenyl}propanamide
CID 2222560
1-{1-[(4-Methylphenyl)sulfonyl]prolyl}azepane
CID 2964486
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 3156904
N-isobutyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 976884
N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 900785
4-methyl-N-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)benzenesulfonamide
CID 16375004
N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)-4-methylbenzenesulfonamide
CID 145958299
N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 162671082
3-[Fluoro(phenyl)methylidene]-4,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 75607168

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one (CID 10569108) is 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one is CCC1CC([Si](C)(C)C)C(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
The InChIKey is DGUNZCNOQGISHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3SSi/c1-6-13-11-15(22(3,4)5)16(18)17(13)21(19,20)14-9-7-12(2)8-10-14/h7-10,13,15H,6,11H2,1-5H3.
What are the key properties of 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one has a molecular weight of 339.53 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 10569108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).