2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid

C8H16F3N3O4S — CID 107424538

IUPAC2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O4S/c1-13(2)3-4-14(5-7(15)16)19(17,18)12-6-8(9,10)11/h12H,3-6H2,1-2H3,(H,15,16)
InChIKeySVQXQYGSNCTIGG-UHFFFAOYSA-N
MW307.29 g/mol
LogP-0.67
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid (PubChem CID 107424538) has the molecular formula C8H16F3N3O4S and a molecular weight of 307.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
PubChem CID107424538
Molecular FormulaC8H16F3N3O4S
Molecular Weight307.29 g/mol
Exact Mass307.08
IUPAC Name2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O4S/c1-13(2)3-4-14(5-7(15)16)19(17,18)12-6-8(9,10)11/h12H,3-6H2,1-2H3,(H,15,16)
InChIKeySVQXQYGSNCTIGG-UHFFFAOYSA-N
XLogP-0.67
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid (CID 107424538) is 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid is CN(C)CCN(CC(=O)O)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
The InChIKey is SVQXQYGSNCTIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O4S/c1-13(2)3-4-14(5-7(15)16)19(17,18)12-6-8(9,10)11/h12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid has a molecular weight of 307.29 g/mol, XLogP of -0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 107424538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).