tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate

C11H17FN2O4S2 — CID 146612127

IUPACtert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)c(S(N)(=O)=O)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17FN2O4S2/c1-11(2,3)18-10(15)14(4)6-7-5-8(12)9(19-7)20(13,16)17/h5H,6H2,1-4H3,(H2,13,16,17)
InChIKeyRBLLVHSDFZZIPC-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate

tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate (PubChem CID 146612127) has the molecular formula C11H17FN2O4S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate
PubChem CID146612127
Molecular FormulaC11H17FN2O4S2
Molecular Weight324.40 g/mol
Exact Mass324.06
IUPAC Nametert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)c(S(N)(=O)=O)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17FN2O4S2/c1-11(2,3)18-10(15)14(4)6-7-5-8(12)9(19-7)20(13,16)17/h5H,6H2,1-4H3,(H2,13,16,17)
InChIKeyRBLLVHSDFZZIPC-UHFFFAOYSA-N
XLogP1.90
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 163662881
tert-butyl (4R)-4-(difluoromethyl)-2-sulfamoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146570608
tert-butyl 4-(difluoromethyl)-2-sulfamoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146570902
tert-butyl (4S)-4-(difluoromethyl)-2-sulfamoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146611396
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-fluorothiophen-2-yl)methyl]-N-propylcarbamate
CID 146612126
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-[(5-aminosulfanyl-4-fluorothiophen-2-yl)methyl]-N-cyclobutylcarbamate
CID 153590267
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate (CID 146612127) is tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate is CN(Cc1cc(F)c(S(N)(=O)=O)s1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate?
The InChIKey is RBLLVHSDFZZIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S2/c1-11(2,3)18-10(15)14(4)6-7-5-8(12)9(19-7)20(13,16)17/h5H,6H2,1-4H3,(H2,13,16,17).
What are the key properties of tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate has a molecular weight of 324.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 146612127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).