(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol

C27H35NO2SSi — CID 25038742

IUPAC(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
SMILESCC(C)[C@H](O)C[S@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H35NO2SSi/c1-22(2)26(29)21-31(30,23-15-9-6-10-16-23)28-32(27(3,4)5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26,29H,21H2,1-5H3/t26-,31-/m1/s1
InChIKeyBXXNSTUIMNWDOM-MXBOTTGLSA-N
MW465.74 g/mol
LogP5.09
Rot. Bonds7

About (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol

(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol (PubChem CID 25038742) has the molecular formula C27H35NO2SSi and a molecular weight of 465.74 g/mol. Its IUPAC name is (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
PubChem CID25038742
Molecular FormulaC27H35NO2SSi
Molecular Weight465.74 g/mol
Exact Mass465.22
IUPAC Name(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
SMILESCC(C)[C@H](O)C[S@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H35NO2SSi/c1-22(2)26(29)21-31(30,23-15-9-6-10-16-23)28-32(27(3,4)5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26,29H,21H2,1-5H3/t26-,31-/m1/s1
InChIKeyBXXNSTUIMNWDOM-MXBOTTGLSA-N
XLogP5.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.74
LogP ≤ 55.09
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
(2R,3R,4S)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-[(S)-phenylsulfinyl]pentan-3-ol
CID 11114419
(2R,3R,4S)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-[(R)-phenylsulfinyl]pentan-3-ol
CID 11734407
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038737
(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
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
(2R,3S,4S)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-[(R)-phenylsulfinyl]pentan-3-ol
CID 134933822
(2R,3S,4S)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-[(S)-phenylsulfinyl]pentan-3-ol
CID 134934763

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol?
The IUPAC name of (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol (CID 25038742) is (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol.
What is the SMILES notation for (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol?
The canonical SMILES for (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol is CC(C)[C@H](O)C[S@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol?
The InChIKey is BXXNSTUIMNWDOM-MXBOTTGLSA-N. The full InChI is InChI=1S/C27H35NO2SSi/c1-22(2)26(29)21-31(30,23-15-9-6-10-16-23)28-32(27(3,4)5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26,29H,21H2,1-5H3/t26-,31-/m1/s1.
What are the key properties of (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol?
(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol has a molecular weight of 465.74 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol is sourced from PubChem (CID 25038742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).