2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C6H11F3N2O4S — CID 79258153

IUPAC2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C)S(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O4S/c1-10(2)16(14,15)11(3-5(12)13)4-6(7,8)9/h3-4H2,1-2H3,(H,12,13)
InChIKeyWNZAAEHXGPEKEV-UHFFFAOYSA-N
MW264.22 g/mol
LogP-0.26
Rot. Bonds5

About 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258153) has the molecular formula C6H11F3N2O4S and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258153
Molecular FormulaC6H11F3N2O4S
Molecular Weight264.22 g/mol
Exact Mass264.04
IUPAC Name2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C)S(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O4S/c1-10(2)16(14,15)11(3-5(12)13)4-6(7,8)9/h3-4H2,1-2H3,(H,12,13)
InChIKeyWNZAAEHXGPEKEV-UHFFFAOYSA-N
XLogP-0.26
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114806576
2-[(2-amino-2-oxoethyl)-(dimethylsulfamoyl)amino]acetic acid
CID 107435768
2-[1-cyanoethylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258644
2-[(4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258315
2-[(3,5-difluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265453
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[(2,6-difluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265452
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257740
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
2-[(2-methylpyrazol-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104709691
2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
CID 55245356
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 63066774

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258153) is 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CN(C)S(=O)(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WNZAAEHXGPEKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O4S/c1-10(2)16(14,15)11(3-5(12)13)4-6(7,8)9/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 264.22 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).