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

C9H16F3N3O5S — CID 106341305

IUPAC2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O5S/c1-14(2)21(19,20)4-3-13-8(18)15(5-7(16)17)6-9(10,11)12/h3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyCNYUBWAQVHCOTA-UHFFFAOYSA-N
MW335.30 g/mol
LogP-0.46
Rot. Bonds7

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

2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106341305) has the molecular formula C9H16F3N3O5S and a molecular weight of 335.30 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106341305
Molecular FormulaC9H16F3N3O5S
Molecular Weight335.30 g/mol
Exact Mass335.08
IUPAC Name2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O5S/c1-14(2)21(19,20)4-3-13-8(18)15(5-7(16)17)6-9(10,11)12/h3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyCNYUBWAQVHCOTA-UHFFFAOYSA-N
XLogP-0.46
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 106341305) is 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CN(C)S(=O)(=O)CCNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CNYUBWAQVHCOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O5S/c1-14(2)21(19,20)4-3-13-8(18)15(5-7(16)17)6-9(10,11)12/h3-6H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 335.30 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106341305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).