4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane

C6H14F3N3O3S — CID 167049429

IUPAC4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane
SMILESCN(C)N(CC(O)CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H14F3N3O3S/c1-11(2)12(16(10,14)15)4-5(13)3-6(7,8)9/h5,13H,3-4H2,1-2H3,(H2,10,14,15)
InChIKeyGGJLNTGLXUAFNE-UHFFFAOYSA-N
MW265.26 g/mol
LogP-0.72
Rot. Bonds5

About 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane

4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane (PubChem CID 167049429) has the molecular formula C6H14F3N3O3S and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane.

Molecular Properties

Compound Name4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane
PubChem CID167049429
Molecular FormulaC6H14F3N3O3S
Molecular Weight265.26 g/mol
Exact Mass265.07
IUPAC Name4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane
SMILESCN(C)N(CC(O)CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H14F3N3O3S/c1-11(2)12(16(10,14)15)4-5(13)3-6(7,8)9/h5,13H,3-4H2,1-2H3,(H2,10,14,15)
InChIKeyGGJLNTGLXUAFNE-UHFFFAOYSA-N
XLogP-0.72
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane?
The IUPAC name of 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane (CID 167049429) is 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane.
What is the SMILES notation for 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane?
The canonical SMILES for 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane is CN(C)N(CC(O)CC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane?
The InChIKey is GGJLNTGLXUAFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O3S/c1-11(2)12(16(10,14)15)4-5(13)3-6(7,8)9/h5,13H,3-4H2,1-2H3,(H2,10,14,15).
What are the key properties of 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane?
4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane has a molecular weight of 265.26 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane is sourced from PubChem (CID 167049429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).