(1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol

C30H33NO2SSi — CID 25038744

IUPAC(1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol
SMILESCC(C)(C)[Si](N=[S@@](=O)(C[C@@H](O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO2SSi/c1-30(2,3)35(27-20-12-6-13-21-27,28-22-14-7-15-23-28)31-34(33,26-18-10-5-11-19-26)24-29(32)25-16-8-4-9-17-25/h4-23,29,32H,24H2,1-3H3/t29-,34-/m1/s1
InChIKeyFNILOUQOAJGTJH-ANHUGMMASA-N
MW499.75 g/mol
LogP5.81
Rot. Bonds7

About (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol

(1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol (PubChem CID 25038744) has the molecular formula C30H33NO2SSi and a molecular weight of 499.75 g/mol. Its IUPAC name is (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol
PubChem CID25038744
Molecular FormulaC30H33NO2SSi
Molecular Weight499.75 g/mol
Exact Mass499.20
IUPAC Name(1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol
SMILESCC(C)(C)[Si](N=[S@@](=O)(C[C@@H](O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO2SSi/c1-30(2,3)35(27-20-12-6-13-21-27,28-22-14-7-15-23-28)31-34(33,26-18-10-5-11-19-26)24-29(32)25-16-8-4-9-17-25/h4-23,29,32H,24H2,1-3H3/t29-,34-/m1/s1
InChIKeyFNILOUQOAJGTJH-ANHUGMMASA-N
XLogP5.81
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.75
LogP ≤ 55.81
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

3-(Benzenesulfonyl)prop-1-en-2-ylbenzene;1-[dimethyl(phenyl)silyl]ethanol;1,1,1-trifluoro-4-phenylpent-4-en-2-ol
CID 163722301
2-(Benzenesulfonyl)-1-phenylbut-3-en-1-ol
CID 10902292
(1R,2S)-2-(benzenesulfonyl)-1,2-diphenylethanol
CID 10969810
2-Methylsulfinyl-1,2-diphenyl-2-phenylsulfanylethanol
CID 12431414
2-(4-Methylphenyl)-2-methylsulfinyl-1-phenyl-2-phenylsulfanylethanol
CID 12431415
2-(4-Methylphenyl)sulfanyl-2-(4-methylphenyl)sulfinyl-1-phenylethanol
CID 12696516
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
(E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol
CID 13446882
2-(Benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol
CID 14906348
(1S)-2,2-bis[(S)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 15174269
(1R)-2,2-bis[(S)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 15174270

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol?
The IUPAC name of (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol (CID 25038744) is (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol is CC(C)(C)[Si](N=[S@@](=O)(C[C@@H](O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol?
The InChIKey is FNILOUQOAJGTJH-ANHUGMMASA-N. The full InChI is InChI=1S/C30H33NO2SSi/c1-30(2,3)35(27-20-12-6-13-21-27,28-22-14-7-15-23-28)31-34(33,26-18-10-5-11-19-26)24-29(32)25-16-8-4-9-17-25/h4-23,29,32H,24H2,1-3H3/t29-,34-/m1/s1.
What are the key properties of (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol?
(1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol has a molecular weight of 499.75 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-1-phenylethanol is sourced from PubChem (CID 25038744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).