trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane

C18H25NO2SSi — CID 11393898

IUPACtrimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC3C=CCC([Si](C)(C)C)=C32)cc1
InChIInChI=1S/C18H25NO2SSi/c1-14-8-10-16(11-9-14)22(20,21)19-13-12-15-6-5-7-17(18(15)19)23(2,3)4/h5-6,8-11,15H,7,12-13H2,1-4H3
InChIKeyAHFMKHFTNVZIBH-UHFFFAOYSA-N
MW347.56 g/mol
LogP4.10
Rot. Bonds3

About trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane

trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane (PubChem CID 11393898) has the molecular formula C18H25NO2SSi and a molecular weight of 347.56 g/mol. Its IUPAC name is trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane
PubChem CID11393898
Molecular FormulaC18H25NO2SSi
Molecular Weight347.56 g/mol
Exact Mass347.14
IUPAC Nametrimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC3C=CCC([Si](C)(C)C)=C32)cc1
InChIInChI=1S/C18H25NO2SSi/c1-14-8-10-16(11-9-14)22(20,21)19-13-12-15-6-5-7-17(18(15)19)23(2,3)4/h5-6,8-11,15H,7,12-13H2,1-4H3
InChIKeyAHFMKHFTNVZIBH-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-((4-Cyclohexylphenyl)sulfonyl)pyrrolidine
CID 778353
Pyrrolidine, 1-((4-ethylphenyl)sulfonyl)-
CID 3041861
1-[(4-Isobutylphenyl)sulfonyl]pyrrolidine
CID 778269
1-[(4-Methylphenyl)sulfonyl]pyrrolidine
CID 247206
3-Fluoro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 89797961
1-Tosyl-2-vinyl-pyrrolidine
CID 10944877
Pyrrolidine, 3-methyl-4-methylene-1-[(4-methylphenyl)sulfonyl]-
CID 11107810
3-Ethenyl-1-((4-methylphenyl)sulfonyl)pyrrolidine
CID 14815784
2-Ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 21590951
2,4,4-Trimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 24799391
2,2,4,4-Tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 24799392
Benzenesulfonamide, 4-methyl-N-ethyl-N-2-ethylhexyl-
CID 23105585

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane?
The IUPAC name of trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane (CID 11393898) is trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane.
What is the SMILES notation for trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane?
The canonical SMILES for trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane is Cc1ccc(S(=O)(=O)N2CCC3C=CCC([Si](C)(C)C)=C32)cc1.
What is the InChIKey of trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane?
The InChIKey is AHFMKHFTNVZIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2SSi/c1-14-8-10-16(11-9-14)22(20,21)19-13-12-15-6-5-7-17(18(15)19)23(2,3)4/h5-6,8-11,15H,7,12-13H2,1-4H3.
What are the key properties of trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane?
trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane has a molecular weight of 347.56 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindol-7-yl]silane is sourced from PubChem (CID 11393898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).