2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine

C3H7F3N2O2S — CID 114807143

IUPAC2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
SMILESCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c1-7-11(9,10)8-2-3(4,5)6/h7-8H,2H2,1H3
InChIKeyIWSMLZGNNUQFBW-UHFFFAOYSA-N
MW192.16 g/mol
LogP-0.40
Rot. Bonds3

About 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine

2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine (PubChem CID 114807143) has the molecular formula C3H7F3N2O2S and a molecular weight of 192.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
PubChem CID114807143
Molecular FormulaC3H7F3N2O2S
Molecular Weight192.16 g/mol
Exact Mass192.02
IUPAC Name2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
SMILESCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c1-7-11(9,10)8-2-3(4,5)6/h7-8H,2H2,1H3
InChIKeyIWSMLZGNNUQFBW-UHFFFAOYSA-N
XLogP-0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine (CID 114807143) is 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine is CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine?
The InChIKey is IWSMLZGNNUQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3N2O2S/c1-7-11(9,10)8-2-3(4,5)6/h7-8H,2H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine?
2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine has a molecular weight of 192.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine is sourced from PubChem (CID 114807143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).