(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide

C19H35NO3SSi — CID 91798381

IUPAC(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide
SMILESCN(C)S(=O)(=O)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H35NO3SSi/c1-19(2,3)25(6,7)23-16-12-11-15-18(24(21,22)20(4)5)17-13-9-8-10-14-17/h8-10,13-14,18H,11-12,15-16H2,1-7H3/t18-/m0/s1
InChIKeyRKCGIFYVHCYRMB-SFHVURJKSA-N
MW385.65 g/mol
LogP4.81
Rot. Bonds9

About (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide

(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide (PubChem CID 91798381) has the molecular formula C19H35NO3SSi and a molecular weight of 385.65 g/mol. Its IUPAC name is (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide.

Molecular Properties

Compound Name(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide
PubChem CID91798381
Molecular FormulaC19H35NO3SSi
Molecular Weight385.65 g/mol
Exact Mass385.21
IUPAC Name(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide
SMILESCN(C)S(=O)(=O)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H35NO3SSi/c1-19(2,3)25(6,7)23-16-12-11-15-18(24(21,22)20(4)5)17-13-9-8-10-14-17/h8-10,13-14,18H,11-12,15-16H2,1-7H3/t18-/m0/s1
InChIKeyRKCGIFYVHCYRMB-SFHVURJKSA-N
XLogP4.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
CID 67997848
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
CID 153444046
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
CID 102153241
(1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 102092728
tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane
CID 15108858
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413

Frequently Asked Questions

What is the IUPAC name of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide?
The IUPAC name of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide (CID 91798381) is (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide.
What is the SMILES notation for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide?
The canonical SMILES for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide is CN(C)S(=O)(=O)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide?
The InChIKey is RKCGIFYVHCYRMB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H35NO3SSi/c1-19(2,3)25(6,7)23-16-12-11-15-18(24(21,22)20(4)5)17-13-9-8-10-14-17/h8-10,13-14,18H,11-12,15-16H2,1-7H3/t18-/m0/s1.
What are the key properties of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide?
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide has a molecular weight of 385.65 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide is sourced from PubChem (CID 91798381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).