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

C17H26N2O2SSi — CID 11210300

IUPAC4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide
SMILESC=C1C[C@@H]2CC[C@@]1([Si](C)(C)C)N2NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2SSi/c1-13-6-8-16(9-7-13)22(20,21)18-19-15-10-11-17(19,14(2)12-15)23(3,4)5/h6-9,15,18H,2,10-12H2,1,3-5H3/t15-,17-/m0/s1
InChIKeySUWMNDLTSTVJEU-RDJZCZTQSA-N
MW350.56 g/mol
LogP3.23
Rot. Bonds4

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

4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide (PubChem CID 11210300) has the molecular formula C17H26N2O2SSi and a molecular weight of 350.56 g/mol. Its IUPAC name is 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide
PubChem CID11210300
Molecular FormulaC17H26N2O2SSi
Molecular Weight350.56 g/mol
Exact Mass350.15
IUPAC Name4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide
SMILESC=C1C[C@@H]2CC[C@@]1([Si](C)(C)C)N2NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2SSi/c1-13-6-8-16(9-7-13)22(20,21)18-19-15-10-11-17(19,14(2)12-15)23(3,4)5/h6-9,15,18H,2,10-12H2,1,3-5H3/t15-,17-/m0/s1
InChIKeySUWMNDLTSTVJEU-RDJZCZTQSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 53.23
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-(4-methyl-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl)benzenesulfonamide
CID 5242559
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
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
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
N-[(1S,2R,4S)-5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11869161

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide (CID 11210300) is 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide is C=C1C[C@@H]2CC[C@@]1([Si](C)(C)C)N2NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide?
The InChIKey is SUWMNDLTSTVJEU-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H26N2O2SSi/c1-13-6-8-16(9-7-13)22(20,21)18-19-15-10-11-17(19,14(2)12-15)23(3,4)5/h6-9,15,18H,2,10-12H2,1,3-5H3/t15-,17-/m0/s1.
What are the key properties of 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide?
4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide has a molecular weight of 350.56 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,4S)-2-methylidene-1-trimethylsilyl-7-azabicyclo[2.2.1]heptan-7-yl]benzenesulfonamide is sourced from PubChem (CID 11210300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).