methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate

C22H29NO5SSi — CID 167317060

IUPACmethyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1
InChIInChI=1S/C22H29NO5SSi/c1-21(2,3)30(18-11-7-5-8-12-18,19-13-9-6-10-14-19)23-29(25,26)17-22(15-28-16-22)20(24)27-4/h5-14,23H,15-17H2,1-4H3
InChIKeyRXOFHGSNGSQUMR-UHFFFAOYSA-N
MW447.63 g/mol
LogP1.66
Rot. Bonds7

About methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate

methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate (PubChem CID 167317060) has the molecular formula C22H29NO5SSi and a molecular weight of 447.63 g/mol. Its IUPAC name is methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate
PubChem CID167317060
Molecular FormulaC22H29NO5SSi
Molecular Weight447.63 g/mol
Exact Mass447.15
IUPAC Namemethyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1
InChIInChI=1S/C22H29NO5SSi/c1-21(2,3)30(18-11-7-5-8-12-18,19-13-9-6-10-14-19)23-29(25,26)17-22(15-28-16-22)20(24)27-4/h5-14,23H,15-17H2,1-4H3
InChIKeyRXOFHGSNGSQUMR-UHFFFAOYSA-N
XLogP1.66
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate (CID 167317060) is methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate is COC(=O)C1(CS(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1.
What is the InChIKey of methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate?
The InChIKey is RXOFHGSNGSQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5SSi/c1-21(2,3)30(18-11-7-5-8-12-18,19-13-9-6-10-14-19)23-29(25,26)17-22(15-28-16-22)20(24)27-4/h5-14,23H,15-17H2,1-4H3.
What are the key properties of methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate?
methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate has a molecular weight of 447.63 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[tert-butyl(diphenyl)silyl]sulfamoylmethyl]oxetane-3-carboxylate is sourced from PubChem (CID 167317060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).