1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one

C17H21NO3SSi — CID 101058095

IUPAC1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C=C32)cc1
InChIInChI=1S/C17H21NO3SSi/c1-12-5-7-13(8-6-12)22(20,21)18-10-9-14-15(18)11-16(19)17(14)23(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyOUKOPYJWDLIBCI-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one

1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one (PubChem CID 101058095) has the molecular formula C17H21NO3SSi and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one
PubChem CID101058095
Molecular FormulaC17H21NO3SSi
Molecular Weight347.51 g/mol
Exact Mass347.10
IUPAC Name1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C=C32)cc1
InChIInChI=1S/C17H21NO3SSi/c1-12-5-7-13(8-6-12)22(20,21)18-10-9-14-15(18)11-16(19)17(14)23(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyOUKOPYJWDLIBCI-UHFFFAOYSA-N
XLogP3.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.03
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

4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
1-(4-methylphenyl)sulfonyl-2-propan-2-ylideneazetidine
CID 101424960
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane
CID 102434471
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one
CID 164898018
methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate
CID 11069487
7-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine
CID 132571395
1,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-1-ium iodide
CID 11485790
(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one
CID 135063034

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one (CID 101058095) is 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one is Cc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C=C32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The InChIKey is OUKOPYJWDLIBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3SSi/c1-12-5-7-13(8-6-12)22(20,21)18-10-9-14-15(18)11-16(19)17(14)23(2,3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one?
1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one has a molecular weight of 347.51 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one is sourced from PubChem (CID 101058095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).