1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane

C3H7F3N2O2S — CID 60762867

IUPAC1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane
SMILESCN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C3H7F3N2O2S/c1-8(11(7,9)10)2-3(4,5)6/h2H2,1H3,(H2,7,9,10)
InChIKeyYWJQBLHCEFWSDO-UHFFFAOYSA-N
MW192.16 g/mol
LogP-0.32
Rot. Bonds2

About 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane

1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane (PubChem CID 60762867) has the molecular formula C3H7F3N2O2S and a molecular weight of 192.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane
PubChem CID60762867
Molecular FormulaC3H7F3N2O2S
Molecular Weight192.16 g/mol
Exact Mass192.02
IUPAC Name1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane
SMILESCN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C3H7F3N2O2S/c1-8(11(7,9)10)2-3(4,5)6/h2H2,1H3,(H2,7,9,10)
InChIKeyYWJQBLHCEFWSDO-UHFFFAOYSA-N
XLogP-0.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)sulfamoyl chloride
CID 13591657
Methyl(2,2,2-trifluoroethyl)sulfamic acid
CID 14323480
sodium;N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 23692973
potassium;N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 23705467
[Sulfinato(trifluoromethyl)amino]ethane
CID 57212539
1,1,1-Trifluoro-3-[methyl(sulfamoyl)amino]propane
CID 61384450
2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
N-(2-Fluoroethyl)-N-methylsulfamide
CID 88592876
N-(2,2-Difluoroethyl)-N-methylsulfamide
CID 88598102
2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
CID 114807143
chloro N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 139547171
lithium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 155756495

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane?
The IUPAC name of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane (CID 60762867) is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane?
The canonical SMILES for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane is CN(CC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane?
The InChIKey is YWJQBLHCEFWSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3N2O2S/c1-8(11(7,9)10)2-3(4,5)6/h2H2,1H3,(H2,7,9,10).
What are the key properties of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane?
1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane has a molecular weight of 192.16 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]ethane is sourced from PubChem (CID 60762867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).