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

C4H9F3N2O2S — CID 66570561

IUPAC1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane
SMILESCC(N(C)S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-3(4(5,6)7)9(2)12(8,10)11/h3H,1-2H3,(H2,8,10,11)
InChIKeyPUSUXZZTNUXPQJ-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.07
Rot. Bonds2

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

1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane (PubChem CID 66570561) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane
PubChem CID66570561
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC Name1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane
SMILESCC(N(C)S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-3(4(5,6)7)9(2)12(8,10)11/h3H,1-2H3,(H2,8,10,11)
InChIKeyPUSUXZZTNUXPQJ-UHFFFAOYSA-N
XLogP0.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

N-Methyl-N-isopropylsulfamoyl amide
CID 22591025
2-[Sulfinato(trifluoromethyl)amino]propane
CID 57055945
1,1,1-Trifluoro-3-[methyl(sulfamoyl)amino]propane
CID 61384450
2-[Sulfamoyl(2,2,2-trifluoroethyl)amino]propane
CID 61608095
N-(2,2-Difluoroethyl)-N-methylsulfamide
CID 88598102
1,1,1-Trifluoro-2-[methyl(sulfamoyl)amino]butane
CID 163275006
1,1,1-Trifluoro-4-[propan-2-yl(sulfamoyl)amino]butane
CID 163275440
[(2,2-Difluoropropyl)(methyl)sulfamoyl]amine
CID 164649432
2-[Difluoromethyl(sulfamoyl)amino]propane
CID 164757955
2-[Fluoromethyl(sulfamoyl)amino]propane
CID 164758048
2,2-Difluoro-1-[propan-2-yl(sulfamoyl)amino]propane
CID 167049012
2-[2,2-Difluoroethyl(sulfamoyl)amino]propane
CID 167049037

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane?
The IUPAC name of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane (CID 66570561) is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane.
What is the SMILES notation for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane?
The canonical SMILES for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane is CC(N(C)S(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane?
The InChIKey is PUSUXZZTNUXPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-3(4(5,6)7)9(2)12(8,10)11/h3H,1-2H3,(H2,8,10,11).
What are the key properties of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane?
1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane has a molecular weight of 206.19 g/mol, XLogP of 0.07, 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]propane is sourced from PubChem (CID 66570561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).