2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

C6H10F3NO4S — CID 61455049

IUPAC2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-4(5(11)12)15(13,14)10(2)3-6(7,8)9/h4H,3H2,1-2H3,(H,11,12)
InChIKeyRDVZIXSIYVKEDU-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.28
Rot. Bonds4

About 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 61455049) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID61455049
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-4(5(11)12)15(13,14)10(2)3-6(7,8)9/h4H,3H2,1-2H3,(H,11,12)
InChIKeyRDVZIXSIYVKEDU-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
2-(3,3-Difluoroazetidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 59634268
3-[Methyl(1,1,2,2,3-pentafluoropropylsulfonyl)amino]propanoic acid
CID 130374950
3-(2,2,2-Trifluoroethylsulfamoyl)propanoic acid
CID 28774228
4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947606
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 61455049) is 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is RDVZIXSIYVKEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-4(5(11)12)15(13,14)10(2)3-6(7,8)9/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61455049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).