(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol

C26H33NO2SSi — CID 25038737

IUPAC(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
SMILESCC[C@@H](O)C[S@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C26H33NO2SSi/c1-5-22(28)21-30(29,23-15-9-6-10-16-23)27-31(26(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,28H,5,21H2,1-4H3/t22-,30-/m1/s1
InChIKeyHVVSZJIXFYCJMH-YKGWIAGDSA-N
MW451.71 g/mol
LogP4.84
Rot. Bonds7

About (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol

(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol (PubChem CID 25038737) has the molecular formula C26H33NO2SSi and a molecular weight of 451.71 g/mol. Its IUPAC name is (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
PubChem CID25038737
Molecular FormulaC26H33NO2SSi
Molecular Weight451.71 g/mol
Exact Mass451.20
IUPAC Name(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
SMILESCC[C@@H](O)C[S@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C26H33NO2SSi/c1-5-22(28)21-30(29,23-15-9-6-10-16-23)27-31(26(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,28H,5,21H2,1-4H3/t22-,30-/m1/s1
InChIKeyHVVSZJIXFYCJMH-YKGWIAGDSA-N
XLogP4.84
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.71
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 10863530
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038738
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
CID 25038741
(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
CID 25038742
tert-butyl-[(Z,4S)-4-methyl-5-[(S)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 134880777
tert-butyl-[(E,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 134880939
[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane
CID 134972263
(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10696994
(4S,5R,6S)-7-(benzenesulfonyl)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 11060415

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol?
The IUPAC name of (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol (CID 25038737) is (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol.
What is the SMILES notation for (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol?
The canonical SMILES for (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol is CC[C@@H](O)C[S@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol?
The InChIKey is HVVSZJIXFYCJMH-YKGWIAGDSA-N. The full InChI is InChI=1S/C26H33NO2SSi/c1-5-22(28)21-30(29,23-15-9-6-10-16-23)27-31(26(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,28H,5,21H2,1-4H3/t22-,30-/m1/s1.
What are the key properties of (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol?
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol has a molecular weight of 451.71 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol is sourced from PubChem (CID 25038737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).