1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

C8H18F3N3O2S — CID 114811097

IUPAC1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCN(CC(C)(C)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2,4-12)6-14(3)17(15,16)13-5-8(9,10)11/h13H,4-6,12H2,1-3H3
InChIKeyJDAWHTABLABTEW-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.30
Rot. Bonds6

About 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (PubChem CID 114811097) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.

Molecular Properties

Compound Name1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
PubChem CID114811097
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCN(CC(C)(C)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2,4-12)6-14(3)17(15,16)13-5-8(9,10)11/h13H,4-6,12H2,1-3H3
InChIKeyJDAWHTABLABTEW-UHFFFAOYSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The IUPAC name of 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (CID 114811097) is 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.
What is the SMILES notation for 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The canonical SMILES for 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is CN(CC(C)(C)CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The InChIKey is JDAWHTABLABTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-7(2,4-12)6-14(3)17(15,16)13-5-8(9,10)11/h13H,4-6,12H2,1-3H3.
What are the key properties of 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane has a molecular weight of 277.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-dimethyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is sourced from PubChem (CID 114811097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).