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

C5H9F3N2O4S — CID 114806576

IUPAC2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNS(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C5H9F3N2O4S/c1-9-15(13,14)10(2-4(11)12)3-5(6,7)8/h9H,2-3H2,1H3,(H,11,12)
InChIKeyRUBPMIKNHYKYOX-UHFFFAOYSA-N
MW250.20 g/mol
LogP-0.60
Rot. Bonds5

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

2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114806576) has the molecular formula C5H9F3N2O4S and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114806576
Molecular FormulaC5H9F3N2O4S
Molecular Weight250.20 g/mol
Exact Mass250.02
IUPAC Name2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNS(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C5H9F3N2O4S/c1-9-15(13,14)10(2-4(11)12)3-5(6,7)8/h9H,2-3H2,1H3,(H,11,12)
InChIKeyRUBPMIKNHYKYOX-UHFFFAOYSA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylperfluoromethane sulfonamido acetic acid
CID 61011571
2-Aminoacetic acid;2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 162684978
2-[Diethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257983
2-[Dipropylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258152
2-[Dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258153
2-[[Methyl(propan-2-yl)sulfamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258646
2-(methyl(N-(2,2,2-trifluoroethyl)sulfamoyl)amino)acetic acid
CID 91811064
2-[2-(Dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
CID 107424538
2-[(2-Amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
CID 107435749
2-[Butan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
CID 113636695
2-[Tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 113636865
2-[Ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114462845

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 114806576) is 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CNS(=O)(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RUBPMIKNHYKYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O4S/c1-9-15(13,14)10(2-4(11)12)3-5(6,7)8/h9H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 250.20 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114806576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).