tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate

C13H30N2O5SSi — CID 101437485

IUPACtert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)S(=O)(=O)NO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30N2O5SSi/c1-10-15(11(16)19-12(2,3)4)21(17,18)14-20-22(8,9)13(5,6)7/h14H,10H2,1-9H3
InChIKeyOLWOGIPTVSXNOC-UHFFFAOYSA-N
MW354.55 g/mol
LogP3.01
Rot. Bonds5

About tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate

tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate (PubChem CID 101437485) has the molecular formula C13H30N2O5SSi and a molecular weight of 354.55 g/mol. Its IUPAC name is tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate
PubChem CID101437485
Molecular FormulaC13H30N2O5SSi
Molecular Weight354.55 g/mol
Exact Mass354.16
IUPAC Nametert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)S(=O)(=O)NO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30N2O5SSi/c1-10-15(11(16)19-12(2,3)4)21(17,18)14-20-22(8,9)13(5,6)7/h14H,10H2,1-9H3
InChIKeyOLWOGIPTVSXNOC-UHFFFAOYSA-N
XLogP3.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
CID 167351432
tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate
CID 130367367
tert-butyl N-(4-chlorophenyl)sulfonyl-N-ethylcarbamate
CID 10358605
tert-butyl N-butyl-N-sulfamoylcarbamate
CID 101365553
tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate
CID 154708739
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-(tert-butylsulfamoyl)-N-(3-chlorobutyl)carbamate
CID 154708735
3-[diethylcarbamoyloxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 118225036
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-(2-chloroethylsulfamoyl)-N-(cyanomethyl)carbamate
CID 101088085
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate (CID 101437485) is tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)S(=O)(=O)NO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate?
The InChIKey is OLWOGIPTVSXNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O5SSi/c1-10-15(11(16)19-12(2,3)4)21(17,18)14-20-22(8,9)13(5,6)7/h14H,10H2,1-9H3.
What are the key properties of tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate?
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate has a molecular weight of 354.55 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate is sourced from PubChem (CID 101437485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).