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

C31H40ClNO4SSi2 — CID 10841465

IUPAC(2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@@H]1C(=O)N(S(=O)(=O)Cl)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C31H40ClNO4SSi2/c1-24-29(39(5,6)25-16-10-7-11-17-25)28(33(30(24)34)38(32,35)36)22-23-37-40(31(2,3)4,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28-29H,22-23H2,1-6H3/t24-,28+,29-/m0/s1
InChIKeyYBMIJQJTEARIDB-DOUMQJFESA-N
MW614.36 g/mol
LogP5.27
Rot. Bonds9

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

(2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride (PubChem CID 10841465) has the molecular formula C31H40ClNO4SSi2 and a molecular weight of 614.36 g/mol. Its IUPAC name is (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
PubChem CID10841465
Molecular FormulaC31H40ClNO4SSi2
Molecular Weight614.36 g/mol
Exact Mass613.19
IUPAC Name(2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@@H]1C(=O)N(S(=O)(=O)Cl)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C31H40ClNO4SSi2/c1-24-29(39(5,6)25-16-10-7-11-17-25)28(33(30(24)34)38(32,35)36)22-23-37-40(31(2,3)4,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28-29H,22-23H2,1-6H3/t24-,28+,29-/m0/s1
InChIKeyYBMIJQJTEARIDB-DOUMQJFESA-N
XLogP5.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
The IUPAC name of (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride (CID 10841465) is (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride is C[C@@H]1C(=O)N(S(=O)(=O)Cl)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
The InChIKey is YBMIJQJTEARIDB-DOUMQJFESA-N. The full InChI is InChI=1S/C31H40ClNO4SSi2/c1-24-29(39(5,6)25-16-10-7-11-17-25)28(33(30(24)34)38(32,35)36)22-23-37-40(31(2,3)4,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,24,28-29H,22-23H2,1-6H3/t24-,28+,29-/m0/s1.
What are the key properties of (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride?
(2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride has a molecular weight of 614.36 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 10841465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).