1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane

C4H9F3N2O2S — CID 61384450

IUPAC1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane
SMILESCN(CCC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H9F3N2O2S/c1-9(12(8,10)11)3-2-4(5,6)7/h2-3H2,1H3,(H2,8,10,11)
InChIKeyCVTWYYNHLFJLLV-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.07
Rot. Bonds3

About 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane

1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane (PubChem CID 61384450) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane
PubChem CID61384450
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC Name1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane
SMILESCN(CCC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H9F3N2O2S/c1-9(12(8,10)11)3-2-4(5,6)7/h2-3H2,1H3,(H2,8,10,11)
InChIKeyCVTWYYNHLFJLLV-UHFFFAOYSA-N
XLogP0.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane (CID 61384450) is 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane is CN(CCC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane?
The InChIKey is CVTWYYNHLFJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-9(12(8,10)11)3-2-4(5,6)7/h2-3H2,1H3,(H2,8,10,11).
What are the key properties of 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane?
1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane has a molecular weight of 206.19 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(sulfamoyl)amino]propane is sourced from PubChem (CID 61384450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).