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

C7H16F3N3O3S — CID 114812786

IUPAC2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCOCC(N)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c1-13(3-6(11)4-16-2)17(14,15)12-5-7(8,9)10/h6,12H,3-5,11H2,1-2H3
InChIKeyJOHKBLPHGKAMSS-UHFFFAOYSA-N
MW279.28 g/mol
LogP-0.71
Rot. Bonds7

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

2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (PubChem CID 114812786) has the molecular formula C7H16F3N3O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.

Molecular Properties

Compound Name2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
PubChem CID114812786
Molecular FormulaC7H16F3N3O3S
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCOCC(N)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c1-13(3-6(11)4-16-2)17(14,15)12-5-7(8,9)10/h6,12H,3-5,11H2,1-2H3
InChIKeyJOHKBLPHGKAMSS-UHFFFAOYSA-N
XLogP-0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The IUPAC name of 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (CID 114812786) is 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.
What is the SMILES notation for 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The canonical SMILES for 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is COCC(N)CN(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The InChIKey is JOHKBLPHGKAMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O3S/c1-13(3-6(11)4-16-2)17(14,15)12-5-7(8,9)10/h6,12H,3-5,11H2,1-2H3.
What are the key properties of 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane has a molecular weight of 279.28 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is sourced from PubChem (CID 114812786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).