4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide

C18H28N2O2SSi — CID 5242559

IUPAC4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide
SMILESC=C1CC2(C)CCC1([Si](C)(C)C)N2NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O2SSi/c1-14-7-9-16(10-8-14)23(21,22)19-20-17(3)11-12-18(20,15(2)13-17)24(4,5)6/h7-10,19H,2,11-13H2,1,3-6H3
InChIKeyATIVNYOPDFPHFL-UHFFFAOYSA-N
MW364.59 g/mol
LogP3.62
Rot. Bonds4

About 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide

4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide (PubChem CID 5242559) has the molecular formula C18H28N2O2SSi and a molecular weight of 364.59 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide
PubChem CID5242559
Molecular FormulaC18H28N2O2SSi
Molecular Weight364.59 g/mol
Exact Mass364.16
IUPAC Name4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide
SMILESC=C1CC2(C)CCC1([Si](C)(C)C)N2NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O2SSi/c1-14-7-9-16(10-8-14)23(21,22)19-20-17(3)11-12-18(20,15(2)13-17)24(4,5)6/h7-10,19H,2,11-13H2,1,3-6H3
InChIKeyATIVNYOPDFPHFL-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide
CID 11210300
N-[(1R,6R)-12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl]-4-methylbenzenesulfonamide
CID 98163684
4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide
CID 10781288
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-methyl-N-[(2Z,9Z)-13-[(4-methylphenyl)sulfonylamino]-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraen-6-yl]benzenesulfonamide
CID 134983474
N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide
CID 102100745
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide
CID 54386633
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide (CID 5242559) is 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide is C=C1CC2(C)CCC1([Si](C)(C)C)N2NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide?
The InChIKey is ATIVNYOPDFPHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2SSi/c1-14-7-9-16(10-8-14)23(21,22)19-20-17(3)11-12-18(20,15(2)13-17)24(4,5)6/h7-10,19H,2,11-13H2,1,3-6H3.
What are the key properties of 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide?
4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide has a molecular weight of 364.59 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide is sourced from PubChem (CID 5242559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).