(2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride

C20H34ClNO4SSi2 — CID 11511259

IUPAC(2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@H]1C(=O)N(S(=O)(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H34ClNO4SSi2/c1-15-17(23)22(27(21,24)25)18(26-29(8,9)19(2,3)4)20(15,5)28(6,7)16-13-11-10-12-14-16/h10-15,18H,1-9H3/t15-,18-,20+/m0/s1
InChIKeyGSABEMOEMKIZEU-ZAAXVRCTSA-N
MW476.19 g/mol
LogP4.67
Rot. Bonds5

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

(2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride (PubChem CID 11511259) has the molecular formula C20H34ClNO4SSi2 and a molecular weight of 476.19 g/mol. Its IUPAC name is (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
PubChem CID11511259
Molecular FormulaC20H34ClNO4SSi2
Molecular Weight476.19 g/mol
Exact Mass475.14
IUPAC Name(2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@H]1C(=O)N(S(=O)(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H34ClNO4SSi2/c1-15-17(23)22(27(21,24)25)18(26-29(8,9)19(2,3)4)20(15,5)28(6,7)16-13-11-10-12-14-16/h10-15,18H,1-9H3/t15-,18-,20+/m0/s1
InChIKeyGSABEMOEMKIZEU-ZAAXVRCTSA-N
XLogP4.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.19
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 102184859
(3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 11632258
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-5-oxopyrrolidine-1-sulfonyl chloride
CID 44254001
(3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethyl-4-[phenyl-di(propan-2-yl)silyl]pyrrolidin-2-one
CID 44255072
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one
CID 102184861
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
CID 102184862
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 102184863
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one
CID 102184864

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
The IUPAC name of (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride (CID 11511259) is (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride is C[C@H]1C(=O)N(S(=O)(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)[Si](C)(C)c1ccccc1.
What is the InChIKey of (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
The InChIKey is GSABEMOEMKIZEU-ZAAXVRCTSA-N. The full InChI is InChI=1S/C20H34ClNO4SSi2/c1-15-17(23)22(27(21,24)25)18(26-29(8,9)19(2,3)4)20(15,5)28(6,7)16-13-11-10-12-14-16/h10-15,18H,1-9H3/t15-,18-,20+/m0/s1.
What are the key properties of (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
(2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride has a molecular weight of 476.19 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 11511259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).