1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one

C21H31NO3SSi2 — CID 15448232

IUPAC1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1
InChIInChI=1S/C21H31NO3SSi2/c1-15-10-12-16(13-11-15)26(24,25)22-14-8-9-17-18(22)21(28(5,6)7)19(23)20(17)27(2,3)4/h10-13H,8-9,14H2,1-7H3
InChIKeyMJSFKYHAAMSQQM-UHFFFAOYSA-N
MW433.72 g/mol
LogP4.67
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one

1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one (PubChem CID 15448232) has the molecular formula C21H31NO3SSi2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
PubChem CID15448232
Molecular FormulaC21H31NO3SSi2
Molecular Weight433.72 g/mol
Exact Mass433.16
IUPAC Name1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1
InChIInChI=1S/C21H31NO3SSi2/c1-15-10-12-16(13-11-15)26(24,25)22-14-8-9-17-18(22)21(28(5,6)7)19(23)20(17)27(2,3)4/h10-13H,8-9,14H2,1-7H3
InChIKeyMJSFKYHAAMSQQM-UHFFFAOYSA-N
XLogP4.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.72
LogP ≤ 54.67
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

2-(4-Methylphenyl)sulfonyl-4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]pyrrol-5-one
CID 71603285
1-(4-Methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one
CID 11472182
CID 11827690
CID 11827690
1-(4-Methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]pyrrol-5-one
CID 11827691
1-(4-Methylphenyl)sulfonyl-6,8-bis(trimethylsilyl)-2,3,4,5-tetrahydrocyclopenta[b]azepin-7-one
CID 15448239
(4R,4aR)-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridin-6-one
CID 44471041
(4R,4aS)-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyridin-6-one
CID 44471042
(6S)-5-[dimethyl(phenyl)silyl]-6,8-dimethyl-2-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one
CID 71663010
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
(1E)-1-[2-(4-methylphenyl)sulfonyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyridin-7-ylidene]propan-2-one
CID 101368613
trimethyl-[(Z)-[1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-2,3-dihydropyridin-6-ylidene]methyl]silane
CID 101795642

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one (CID 15448232) is 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one is Cc1ccc(S(=O)(=O)N2CCCC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?
The InChIKey is MJSFKYHAAMSQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3SSi2/c1-15-10-12-16(13-11-15)26(24,25)22-14-8-9-17-18(22)21(28(5,6)7)19(23)20(17)27(2,3)4/h10-13H,8-9,14H2,1-7H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one?
1-(4-methylphenyl)sulfonyl-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one has a molecular weight of 433.72 g/mol, XLogP of 4.67, 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-5,7-bis(trimethylsilyl)-3,4-dihydro-2H-cyclopenta[b]pyridin-6-one is sourced from PubChem (CID 15448232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).