tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate

C7H13F3N2O4S — CID 155097174

IUPACtert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-6(2,3)16-5(13)12-17(14,15)11-4-7(8,9)10/h11H,4H2,1-3H3,(H,12,13)
InChIKeyBKZCZNMPRNSQBF-UHFFFAOYSA-N
MW278.25 g/mol
LogP0.91
Rot. Bonds3

About tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate

tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate (PubChem CID 155097174) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
PubChem CID155097174
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Nametert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-6(2,3)16-5(13)12-17(14,15)11-4-7(8,9)10/h11H,4H2,1-3H3,(H,12,13)
InChIKeyBKZCZNMPRNSQBF-UHFFFAOYSA-N
XLogP0.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-sulfanylethylsulfamoyl)carbamate
CID 134306753
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
CID 155097474
methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate
CID 155246171
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
tert-butyl N-[(4-amino-2-fluorophenyl)methylsulfamoyl]carbamate
CID 86680228
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate
CID 163274972
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate?
The IUPAC name of tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate (CID 155097174) is tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate is CC(C)(C)OC(=O)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate?
The InChIKey is BKZCZNMPRNSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O4S/c1-6(2,3)16-5(13)12-17(14,15)11-4-7(8,9)10/h11H,4H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate?
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate has a molecular weight of 278.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate is sourced from PubChem (CID 155097174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).