methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate

C12H21NO5SSi — CID 170717835

IUPACmethyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C12H21NO5SSi/c1-12(2,3)20(5,6)13-19(15,16)10-7-9(8-18-10)11(14)17-4/h7-8,13H,1-6H3
InChIKeyIFBXBXKSXCFAQI-UHFFFAOYSA-N
MW319.46 g/mol
LogP2.35
Rot. Bonds4

About methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate

methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate (PubChem CID 170717835) has the molecular formula C12H21NO5SSi and a molecular weight of 319.46 g/mol. Its IUPAC name is methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate
PubChem CID170717835
Molecular FormulaC12H21NO5SSi
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Namemethyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C12H21NO5SSi/c1-12(2,3)20(5,6)13-19(15,16)10-7-9(8-18-10)11(14)17-4/h7-8,13H,1-6H3
InChIKeyIFBXBXKSXCFAQI-UHFFFAOYSA-N
XLogP2.35
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-sulfamoylfuran-3-carboxylate
CID 122156795
methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride
CID 120583285
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120717545
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate
CID 166042412
N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 167358991
methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586324
methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate
CID 104607981
methyl 5-(chloromethyl)furan-3-carboxylate
CID 47002840
methyl 5-[[(4-amino-2-methyl-4-oxobutan-2-yl)amino]methyl]furan-3-carboxylate
CID 113429184
methyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-3-carboxylate;hydrochloride
CID 120779109
methyl 5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylfuran-3-carboxylate
CID 71910389

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate (CID 170717835) is methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate is COC(=O)c1coc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate?
The InChIKey is IFBXBXKSXCFAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5SSi/c1-12(2,3)20(5,6)13-19(15,16)10-7-9(8-18-10)11(14)17-4/h7-8,13H,1-6H3.
What are the key properties of methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate?
methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate has a molecular weight of 319.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[tert-butyl(dimethyl)silyl]sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 170717835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).