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

C8H18F3N3O3S — CID 114803998

IUPAC1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCOCCN(CCCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O3S/c1-17-6-5-14(4-2-3-12)18(15,16)13-7-8(9,10)11/h13H,2-7,12H2,1H3
InChIKeyFOFHZFGFIJDAND-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.32
Rot. Bonds9

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

1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (PubChem CID 114803998) has the molecular formula C8H18F3N3O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.

Molecular Properties

Compound Name1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
PubChem CID114803998
Molecular FormulaC8H18F3N3O3S
Molecular Weight293.31 g/mol
Exact Mass293.10
IUPAC Name1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCOCCN(CCCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O3S/c1-17-6-5-14(4-2-3-12)18(15,16)13-7-8(9,10)11/h13H,2-7,12H2,1H3
InChIKeyFOFHZFGFIJDAND-UHFFFAOYSA-N
XLogP-0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The IUPAC name of 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (CID 114803998) is 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.
What is the SMILES notation for 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The canonical SMILES for 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is COCCN(CCCN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The InChIKey is FOFHZFGFIJDAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O3S/c1-17-6-5-14(4-2-3-12)18(15,16)13-7-8(9,10)11/h13H,2-7,12H2,1H3.
What are the key properties of 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane has a molecular weight of 293.31 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is sourced from PubChem (CID 114803998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).