2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane

C6H13F3N2O2S — CID 112685999

IUPAC2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane
SMILESCC(C)CN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)3-11(14(10,12)13)4-6(7,8)9/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyDXNUQBIPQNWAMB-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.71
Rot. Bonds4

About 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane

2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane (PubChem CID 112685999) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane.

Molecular Properties

Compound Name2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane
PubChem CID112685999
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane
SMILESCC(C)CN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)3-11(14(10,12)13)4-6(7,8)9/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyDXNUQBIPQNWAMB-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane?
The IUPAC name of 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane (CID 112685999) is 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane.
What is the SMILES notation for 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane?
The canonical SMILES for 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane is CC(C)CN(CC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane?
The InChIKey is DXNUQBIPQNWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-5(2)3-11(14(10,12)13)4-6(7,8)9/h5H,3-4H2,1-2H3,(H2,10,12,13).
What are the key properties of 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane?
2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane has a molecular weight of 234.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[sulfamoyl(2,2,2-trifluoroethyl)amino]propane is sourced from PubChem (CID 112685999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).