4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide

C20H33NO2SSi — CID 102463281

IUPAC4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C/C=C/C[Si](C)(C)C)cc1
InChIInChI=1S/C20H33NO2SSi/c1-17-12-14-19(15-13-17)24(22,23)21-20-11-6-5-9-18(20)10-7-8-16-25(2,3)4/h7-8,12-15,18,20-21H,5-6,9-11,16H2,1-4H3/b8-7+/t18-,20-/m1/s1
InChIKeyUVVJIAHIONJZKZ-PORCLINASA-N
MW379.64 g/mol
LogP5.12
Rot. Bonds7

About 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide

4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide (PubChem CID 102463281) has the molecular formula C20H33NO2SSi and a molecular weight of 379.64 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide
PubChem CID102463281
Molecular FormulaC20H33NO2SSi
Molecular Weight379.64 g/mol
Exact Mass379.20
IUPAC Name4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C/C=C/C[Si](C)(C)C)cc1
InChIInChI=1S/C20H33NO2SSi/c1-17-12-14-19(15-13-17)24(22,23)21-20-11-6-5-9-18(20)10-7-8-16-25(2,3)4/h7-8,12-15,18,20-21H,5-6,9-11,16H2,1-4H3/b8-7+/t18-,20-/m1/s1
InChIKeyUVVJIAHIONJZKZ-PORCLINASA-N
XLogP5.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.64
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
3-[(1R,2S)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoic acid
CID 95654521
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide (CID 102463281) is 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C/C=C/C[Si](C)(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide?
The InChIKey is UVVJIAHIONJZKZ-PORCLINASA-N. The full InChI is InChI=1S/C20H33NO2SSi/c1-17-12-14-19(15-13-17)24(22,23)21-20-11-6-5-9-18(20)10-7-8-16-25(2,3)4/h7-8,12-15,18,20-21H,5-6,9-11,16H2,1-4H3/b8-7+/t18-,20-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide?
4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide has a molecular weight of 379.64 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2R)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 102463281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).