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

C24H32ClNO3SSi — CID 102018347

IUPAC(2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride
SMILESCC(C)(C)C[C@H]1[C@H]([Si](C)(C)C(c2ccccc2)c2ccccc2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C24H32ClNO3SSi/c1-24(2,3)17-20-21(16-22(27)26(20)30(25,28)29)31(4,5)23(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23H,16-17H2,1-5H3/t20-,21+/m0/s1
InChIKeyGNODCGMSUMLXIZ-LEWJYISDSA-N
MW478.13 g/mol
LogP5.96
Rot. Bonds6

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

(2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride (PubChem CID 102018347) has the molecular formula C24H32ClNO3SSi and a molecular weight of 478.13 g/mol. Its IUPAC name is (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride
PubChem CID102018347
Molecular FormulaC24H32ClNO3SSi
Molecular Weight478.13 g/mol
Exact Mass477.16
IUPAC Name(2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride
SMILESCC(C)(C)C[C@H]1[C@H]([Si](C)(C)C(c2ccccc2)c2ccccc2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C24H32ClNO3SSi/c1-24(2,3)17-20-21(16-22(27)26(20)30(25,28)29)31(4,5)23(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23H,16-17H2,1-5H3/t20-,21+/m0/s1
InChIKeyGNODCGMSUMLXIZ-LEWJYISDSA-N
XLogP5.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.13
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride?
The IUPAC name of (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride (CID 102018347) is (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride is CC(C)(C)C[C@H]1[C@H]([Si](C)(C)C(c2ccccc2)c2ccccc2)CC(=O)N1S(=O)(=O)Cl.
What is the InChIKey of (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride?
The InChIKey is GNODCGMSUMLXIZ-LEWJYISDSA-N. The full InChI is InChI=1S/C24H32ClNO3SSi/c1-24(2,3)17-20-21(16-22(27)26(20)30(25,28)29)31(4,5)23(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23H,16-17H2,1-5H3/t20-,21+/m0/s1.
What are the key properties of (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride?
(2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride has a molecular weight of 478.13 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[benzhydryl(dimethyl)silyl]-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 102018347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).