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

C7H15F3N2O4S — CID 114809415

IUPAC2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCOCC(O)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O4S/c1-12(3-6(13)4-16-2)17(14,15)11-5-7(8,9)10/h6,11,13H,3-5H2,1-2H3
InChIKeyGQXJJWNFRJKWRA-UHFFFAOYSA-N
MW280.27 g/mol
LogP-0.68
Rot. Bonds7

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

2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (PubChem CID 114809415) has the molecular formula C7H15F3N2O4S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.

Molecular Properties

Compound Name2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
PubChem CID114809415
Molecular FormulaC7H15F3N2O4S
Molecular Weight280.27 g/mol
Exact Mass280.07
IUPAC Name2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCOCC(O)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O4S/c1-12(3-6(13)4-16-2)17(14,15)11-5-7(8,9)10/h6,11,13H,3-5H2,1-2H3
InChIKeyGQXJJWNFRJKWRA-UHFFFAOYSA-N
XLogP-0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114815632
1-methoxy-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 62015935
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242741
N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropanesulfonamide
CID 64554742
4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
CID 103876036
3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
CID 103310159
1-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylmethanesulfonamide
CID 54999330
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-4-sulfonamide
CID 62048631
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54941944
methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
CID 114816329
2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114816735

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The IUPAC name of 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (CID 114809415) is 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.
What is the SMILES notation for 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The canonical SMILES for 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is COCC(O)CN(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The InChIKey is GQXJJWNFRJKWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O4S/c1-12(3-6(13)4-16-2)17(14,15)11-5-7(8,9)10/h6,11,13H,3-5H2,1-2H3.
What are the key properties of 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane has a molecular weight of 280.27 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is sourced from PubChem (CID 114809415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).