(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride

C29H36ClNO3SSi2 — CID 102018343

IUPAC(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@H]1C(=O)N(S(=O)(=O)Cl)[C@@H](C[Si](C)(C)c2ccccc2)[C@@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36ClNO3SSi2/c1-22-27(37(4,5)28(23-15-9-6-10-16-23)24-17-11-7-12-18-24)26(31(29(22)32)35(30,33)34)21-36(2,3)25-19-13-8-14-20-25/h6-20,22,26-28H,21H2,1-5H3/t22-,26+,27-/m1/s1
InChIKeyPDZBCRBJVZGXIE-VYCLJVNGSA-N
MW570.30 g/mol
LogP6.38
Rot. Bonds8

About (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride

(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride (PubChem CID 102018343) has the molecular formula C29H36ClNO3SSi2 and a molecular weight of 570.30 g/mol. Its IUPAC name is (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
PubChem CID102018343
Molecular FormulaC29H36ClNO3SSi2
Molecular Weight570.30 g/mol
Exact Mass569.16
IUPAC Name(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@H]1C(=O)N(S(=O)(=O)Cl)[C@@H](C[Si](C)(C)c2ccccc2)[C@@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36ClNO3SSi2/c1-22-27(37(4,5)28(23-15-9-6-10-16-23)24-17-11-7-12-18-24)26(31(29(22)32)35(30,33)34)21-36(2,3)25-19-13-8-14-20-25/h6-20,22,26-28H,21H2,1-5H3/t22-,26+,27-/m1/s1
InChIKeyPDZBCRBJVZGXIE-VYCLJVNGSA-N
XLogP6.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.30
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one
CID 163364526
(2R,3S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
CID 10699027
(2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
CID 10712565
(2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
CID 10841465
(1R,5R,8R)-8-[benzhydryl(dimethyl)silyl]-6-propan-2-yl-6-azabicyclo[3.2.1]oct-3-en-7-one
CID 10862074
(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3,5-dimethylpyrrolidin-2-one
CID 11221416
(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one
CID 101232489
(3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one
CID 101232496
(3S,5R)-5-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1-triphenylsilylpyrrolidin-2-one
CID 101773923
(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
CID 102018345
(2S,3R,4R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
CID 102018346
(2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride
CID 102018347

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
The IUPAC name of (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride (CID 102018343) is (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride is C[C@H]1C(=O)N(S(=O)(=O)Cl)[C@@H](C[Si](C)(C)c2ccccc2)[C@@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
The InChIKey is PDZBCRBJVZGXIE-VYCLJVNGSA-N. The full InChI is InChI=1S/C29H36ClNO3SSi2/c1-22-27(37(4,5)28(23-15-9-6-10-16-23)24-17-11-7-12-18-24)26(31(29(22)32)35(30,33)34)21-36(2,3)25-19-13-8-14-20-25/h6-20,22,26-28H,21H2,1-5H3/t22-,26+,27-/m1/s1.
What are the key properties of (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride has a molecular weight of 570.30 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 102018343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).