1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane

C7H15F3N2O3S — CID 103834040

IUPAC1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-5(2)12(3)16(14,15)11-4-6(13)7(8,9)10/h5-6,11,13H,4H2,1-3H3
InChIKeyCVQQNSBJGYINBV-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.08
Rot. Bonds5

About 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane

1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (PubChem CID 103834040) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
PubChem CID103834040
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-5(2)12(3)16(14,15)11-4-6(13)7(8,9)10/h5-6,11,13H,4H2,1-3H3
InChIKeyCVQQNSBJGYINBV-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The IUPAC name of 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (CID 103834040) is 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.
What is the SMILES notation for 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The canonical SMILES for 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is CC(C)N(C)S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The InChIKey is CVQQNSBJGYINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-5(2)12(3)16(14,15)11-4-6(13)7(8,9)10/h5-6,11,13H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane has a molecular weight of 264.27 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is sourced from PubChem (CID 103834040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).