tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate

C25H36N2O4SSi — CID 154660373

IUPACtert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H36N2O4SSi/c1-24(2,3)31-23(28)27-18-17-20(19-27)32(29,30)26-33(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,17-19H2,1-6H3
InChIKeyIGESESOCWWHAKJ-UHFFFAOYSA-N
MW488.73 g/mol
LogP3.48
Rot. Bonds5

About tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate

tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate (PubChem CID 154660373) has the molecular formula C25H36N2O4SSi and a molecular weight of 488.73 g/mol. Its IUPAC name is tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate
PubChem CID154660373
Molecular FormulaC25H36N2O4SSi
Molecular Weight488.73 g/mol
Exact Mass488.22
IUPAC Nametert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H36N2O4SSi/c1-24(2,3)31-23(28)27-18-17-20(19-27)32(29,30)26-33(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,17-19H2,1-6H3
InChIKeyIGESESOCWWHAKJ-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
CID 166071281
tert-butyl 3-[[(4-hydroxybenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylate
CID 170033573
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634303
tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 3-(1,1-diphenylethyl)pyrrolidine-1-carboxylate
CID 174192656
tert-butyl (3R)-3-(3-methylpyrazin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634218
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
tert-butyl (3S)-3-quinoxalin-2-ylsulfonylpiperidine-1-carboxylate
CID 97171844
tert-butyl 8-[tert-butyl(diphenyl)silyl]oxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 171498404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate (CID 154660373) is tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?
The InChIKey is IGESESOCWWHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4SSi/c1-24(2,3)31-23(28)27-18-17-20(19-27)32(29,30)26-33(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,17-19H2,1-6H3.
What are the key properties of tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate has a molecular weight of 488.73 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 154660373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).