2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid

C8H13F3N2O5S — CID 60950228

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H13F3N2O5S/c1-12(2)6(14)3-13(5-8(9,10)11)19(17,18)4-7(15)16/h3-5H2,1-2H3,(H,15,16)
InChIKeyOWFDIPXALKLFNP-UHFFFAOYSA-N
MW306.26 g/mol
LogP-0.65
Rot. Bonds6

About 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid

2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (PubChem CID 60950228) has the molecular formula C8H13F3N2O5S and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
PubChem CID60950228
Molecular FormulaC8H13F3N2O5S
Molecular Weight306.26 g/mol
Exact Mass306.05
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H13F3N2O5S/c1-12(2)6(14)3-13(5-8(9,10)11)19(17,18)4-7(15)16/h3-5H2,1-2H3,(H,15,16)
InChIKeyOWFDIPXALKLFNP-UHFFFAOYSA-N
XLogP-0.65
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (CID 60950228) is 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is CN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The InChIKey is OWFDIPXALKLFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O5S/c1-12(2)6(14)3-13(5-8(9,10)11)19(17,18)4-7(15)16/h3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid has a molecular weight of 306.26 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60950228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).