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

C6H13F3N2O2S — CID 167049044

IUPAC1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CCC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)11(14(10,12)13)4-3-6(7,8)9/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyBLDHYRMLJYSLMJ-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.85
Rot. Bonds4

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

1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane (PubChem CID 167049044) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane
PubChem CID167049044
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CCC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)11(14(10,12)13)4-3-6(7,8)9/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyBLDHYRMLJYSLMJ-UHFFFAOYSA-N
XLogP0.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane?
The IUPAC name of 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane (CID 167049044) is 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane.
What is the SMILES notation for 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane?
The canonical SMILES for 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane is CC(C)N(CCC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane?
The InChIKey is BLDHYRMLJYSLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-5(2)11(14(10,12)13)4-3-6(7,8)9/h5H,3-4H2,1-2H3,(H2,10,12,13).
What are the key properties of 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane?
1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane has a molecular weight of 234.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[propan-2-yl(sulfamoyl)amino]propane is sourced from PubChem (CID 167049044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).