1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one

C20H29NO3SSi2 — CID 11827691

IUPAC1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1
InChIInChI=1S/C20H29NO3SSi2/c1-14-8-10-15(11-9-14)25(23,24)21-13-12-16-17(21)20(27(5,6)7)18(22)19(16)26(2,3)4/h8-11H,12-13H2,1-7H3
InChIKeyAKGDYOHDIFSWTL-UHFFFAOYSA-N
MW419.70 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one

1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one (PubChem CID 11827691) has the molecular formula C20H29NO3SSi2 and a molecular weight of 419.70 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
PubChem CID11827691
Molecular FormulaC20H29NO3SSi2
Molecular Weight419.70 g/mol
Exact Mass419.14
IUPAC Name1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1
InChIInChI=1S/C20H29NO3SSi2/c1-14-8-10-15(11-9-14)25(23,24)21-13-12-16-17(21)20(27(5,6)7)18(22)19(16)26(2,3)4/h8-11H,12-13H2,1-7H3
InChIKeyAKGDYOHDIFSWTL-UHFFFAOYSA-N
XLogP4.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.70
LogP ≤ 54.28
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

Trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane
CID 11393898
2-(4-Methylphenyl)sulfonyl-4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]pyrrol-5-one
CID 71603285
(3R,3aS)-3,6-dimethyl-2-(4-methylphenyl)sulfonyl-1,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11381199
1-(4-Methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one
CID 11472182
CID 11827690
CID 11827690
1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
CID 15448232
1-(4-Methylphenyl)sulfonyl-6,8-bis(trimethylsilyl)-2,3,4,5-tetrahydrocyclopenta[b]azepin-7-one
CID 15448239
trimethyl-[(Z)-[4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]methyl]silane
CID 44185783
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-triethylsilylethenone
CID 100985225
1-(4-Methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one
CID 101058095
(3R,3aR)-3,6-dimethyl-2-(4-methylphenyl)sulfonyl-1,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5-one
CID 101110398
CID 134884897
CID 134884897

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one (CID 11827691) is 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one is Cc1ccc(S(=O)(=O)N2CCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
The InChIKey is AKGDYOHDIFSWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3SSi2/c1-14-8-10-15(11-9-14)25(23,24)21-13-12-16-17(21)20(27(5,6)7)18(22)19(16)26(2,3)4/h8-11H,12-13H2,1-7H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one?
1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one has a molecular weight of 419.70 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one is sourced from PubChem (CID 11827691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).