N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide

C20H35NO2SSi — CID 164684876

IUPACN-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](/C=C/C(C)(C)C)[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H35NO2SSi/c1-16-10-12-17(13-11-16)24(22,23)21-18(14-15-19(2,3)4)25(8,9)20(5,6)7/h10-15,18,21H,1-9H3/b15-14+/t18-/m1/s1
InChIKeyFFPHZCCSRRZTDR-LGHUBQEGSA-N
MW381.66 g/mol
LogP5.29
Rot. Bonds5

About N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide

N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 164684876) has the molecular formula C20H35NO2SSi and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide
PubChem CID164684876
Molecular FormulaC20H35NO2SSi
Molecular Weight381.66 g/mol
Exact Mass381.22
IUPAC NameN-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](/C=C/C(C)(C)C)[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H35NO2SSi/c1-16-10-12-17(13-11-16)24(22,23)21-18(14-15-19(2,3)4)25(8,9)20(5,6)7/h10-15,18,21H,1-9H3/b15-14+/t18-/m1/s1
InChIKeyFFPHZCCSRRZTDR-LGHUBQEGSA-N
XLogP5.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 55.29
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide (CID 164684876) is N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](/C=C/C(C)(C)C)[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is FFPHZCCSRRZTDR-LGHUBQEGSA-N. The full InChI is InChI=1S/C20H35NO2SSi/c1-16-10-12-17(13-11-16)24(22,23)21-18(14-15-19(2,3)4)25(8,9)20(5,6)7/h10-15,18,21H,1-9H3/b15-14+/t18-/m1/s1.
What are the key properties of N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide?
N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 381.66 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164684876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).