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

C5H11F3N2O2S — CID 163275006

IUPAC1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane
SMILESCCC(N(C)S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-3-4(5(6,7)8)10(2)13(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyGWJWETXSKMIMHI-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.46
Rot. Bonds3

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

1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane (PubChem CID 163275006) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane
PubChem CID163275006
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane
SMILESCCC(N(C)S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-3-4(5(6,7)8)10(2)13(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyGWJWETXSKMIMHI-UHFFFAOYSA-N
XLogP0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.46
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-2-[methyl(sulfamoyl)amino]butane?
The IUPAC name of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane (CID 163275006) is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane.
What is the SMILES notation for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane?
The canonical SMILES for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane is CCC(N(C)S(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane?
The InChIKey is GWJWETXSKMIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-3-4(5(6,7)8)10(2)13(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12).
What are the key properties of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane?
1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane has a molecular weight of 220.22 g/mol, XLogP of 0.46, 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-2-[methyl(sulfamoyl)amino]butane is sourced from PubChem (CID 163275006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).