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

C15H23NO3SSi — CID 10936272

IUPAC5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C([Si](C)(C)C)CC2C)cc1
InChIInChI=1S/C15H23NO3SSi/c1-11-6-8-13(9-7-11)20(18,19)16-12(2)10-14(15(16)17)21(3,4)5/h6-9,12,14H,10H2,1-5H3
InChIKeyLTTXUSIRBKCETL-UHFFFAOYSA-N
MW325.51 g/mol
LogP3.01
Rot. Bonds3

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

5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one (PubChem CID 10936272) has the molecular formula C15H23NO3SSi and a molecular weight of 325.51 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one
PubChem CID10936272
Molecular FormulaC15H23NO3SSi
Molecular Weight325.51 g/mol
Exact Mass325.12
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C([Si](C)(C)C)CC2C)cc1
InChIInChI=1S/C15H23NO3SSi/c1-11-6-8-13(9-7-11)20(18,19)16-12(2)10-14(15(16)17)21(3,4)5/h6-9,12,14H,10H2,1-5H3
InChIKeyLTTXUSIRBKCETL-UHFFFAOYSA-N
XLogP3.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
1-[(2,4,6-Trimethylphenyl)sulfonyl]pyrrolidin-2-one
CID 766932
N-isopropyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 978022
1-{1-[(4-Methylphenyl)sulfonyl]prolyl}azepane
CID 2964486
5-Oxo-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid amide
CID 2956935
4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6470483
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
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid ethylamide
CID 2947981
(8aR)-2-(4-methylphenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 44302623
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one (CID 10936272) is 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)C([Si](C)(C)C)CC2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
The InChIKey is LTTXUSIRBKCETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3SSi/c1-11-6-8-13(9-7-11)20(18,19)16-12(2)10-14(15(16)17)21(3,4)5/h6-9,12,14H,10H2,1-5H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one?
5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one has a molecular weight of 325.51 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonyl-3-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 10936272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).