N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide

C19H33NO3SSi — CID 166438203

IUPACN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=CCC[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H33NO3SSi/c1-8-9-10-17(15-23-25(6,7)19(3,4)5)20-24(21,22)18-13-11-16(2)12-14-18/h8,11-14,17,20H,1,9-10,15H2,2-7H3/t17-/m1/s1
InChIKeyCDGFBZZUTPJDLE-QGZVFWFLSA-N
MW383.63 g/mol
LogP4.63
Rot. Bonds9

About N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide

N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide (PubChem CID 166438203) has the molecular formula C19H33NO3SSi and a molecular weight of 383.63 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide
PubChem CID166438203
Molecular FormulaC19H33NO3SSi
Molecular Weight383.63 g/mol
Exact Mass383.20
IUPAC NameN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=CCC[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H33NO3SSi/c1-8-9-10-17(15-23-25(6,7)19(3,4)5)20-24(21,22)18-13-11-16(2)12-14-18/h8,11-14,17,20H,1,9-10,15H2,2-7H3/t17-/m1/s1
InChIKeyCDGFBZZUTPJDLE-QGZVFWFLSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide (CID 166438203) is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide is C=CCC[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is CDGFBZZUTPJDLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H33NO3SSi/c1-8-9-10-17(15-23-25(6,7)19(3,4)5)20-24(21,22)18-13-11-16(2)12-14-18/h8,11-14,17,20H,1,9-10,15H2,2-7H3/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide?
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 383.63 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 166438203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).