3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane

C5H12F3N3O3S — CID 167049522

IUPAC3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
SMILESCN(C)N(CC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H12F3N3O3S/c1-10(2)11(15(9,13)14)3-4(12)5(6,7)8/h4,12H,3H2,1-2H3,(H2,9,13,14)
InChIKeyVDVHAYGPHVQVDO-UHFFFAOYSA-N
MW251.23 g/mol
LogP-1.11
Rot. Bonds4

About 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane

3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane (PubChem CID 167049522) has the molecular formula C5H12F3N3O3S and a molecular weight of 251.23 g/mol. Its IUPAC name is 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane.

Molecular Properties

Compound Name3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
PubChem CID167049522
Molecular FormulaC5H12F3N3O3S
Molecular Weight251.23 g/mol
Exact Mass251.06
IUPAC Name3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
SMILESCN(C)N(CC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H12F3N3O3S/c1-10(2)11(15(9,13)14)3-4(12)5(6,7)8/h4,12H,3H2,1-2H3,(H2,9,13,14)
InChIKeyVDVHAYGPHVQVDO-UHFFFAOYSA-N
XLogP-1.11
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-1.11
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 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
The IUPAC name of 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane (CID 167049522) is 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane.
What is the SMILES notation for 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
The canonical SMILES for 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane is CN(C)N(CC(O)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
The InChIKey is VDVHAYGPHVQVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3N3O3S/c1-10(2)11(15(9,13)14)3-4(12)5(6,7)8/h4,12H,3H2,1-2H3,(H2,9,13,14).
What are the key properties of 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane has a molecular weight of 251.23 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane is sourced from PubChem (CID 167049522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).