tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate

C17H31FN2O4S2Si — CID 174041562

IUPACtert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H31FN2O4S2Si/c1-16(2,3)24-15(21)20(7)11-12-10-13(18)14(25-12)26(22,23)19-27(8,9)17(4,5)6/h10,19H,11H2,1-9H3
InChIKeyFZXOYXLTPFHBTF-UHFFFAOYSA-N
MW438.66 g/mol
LogP4.54
Rot. Bonds5

About tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate (PubChem CID 174041562) has the molecular formula C17H31FN2O4S2Si and a molecular weight of 438.66 g/mol. Its IUPAC name is tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
PubChem CID174041562
Molecular FormulaC17H31FN2O4S2Si
Molecular Weight438.66 g/mol
Exact Mass438.15
IUPAC Nametert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H31FN2O4S2Si/c1-16(2,3)24-15(21)20(7)11-12-10-13(18)14(25-12)26(22,23)19-27(8,9)17(4,5)6/h10,19H,11H2,1-9H3
InChIKeyFZXOYXLTPFHBTF-UHFFFAOYSA-N
XLogP4.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 54.54
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

tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 163662881
N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
CID 142522463
tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate
CID 146611530
tert-butyl N-[[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 146611531
3-Fluoro-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-2-sulfinic acid
CID 146612125
tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate
CID 146612127
tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 167348227
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 167348394
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
CID 167348401
tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 153590128
tert-butyl (2R)-2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]pyrrolidine-1-carboxylate
CID 167348200
tert-butyl (2S)-2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]thiophen-2-yl]pyrrolidine-1-carboxylate
CID 167348239

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate (CID 174041562) is tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate is CN(Cc1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
The InChIKey is FZXOYXLTPFHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2O4S2Si/c1-16(2,3)24-15(21)20(7)11-12-10-13(18)14(25-12)26(22,23)19-27(8,9)17(4,5)6/h10,19H,11H2,1-9H3.
What are the key properties of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate has a molecular weight of 438.66 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 174041562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).