2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid

C7H11F3N2O4S — CID 84811012

IUPAC2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid
SMILESO=C(O)CN1CCCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C7H11F3N2O4S/c8-7(9,10)5-12-3-1-2-11(4-6(13)14)17(12,15)16/h1-5H2,(H,13,14)
InChIKeyFYEBPGMMBIYFAZ-UHFFFAOYSA-N
MW276.24 g/mol
LogP-0.11
Rot. Bonds3

About 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid

2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid (PubChem CID 84811012) has the molecular formula C7H11F3N2O4S and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid
PubChem CID84811012
Molecular FormulaC7H11F3N2O4S
Molecular Weight276.24 g/mol
Exact Mass276.04
IUPAC Name2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid
SMILESO=C(O)CN1CCCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C7H11F3N2O4S/c8-7(9,10)5-12-3-1-2-11(4-6(13)14)17(12,15)16/h1-5H2,(H,13,14)
InChIKeyFYEBPGMMBIYFAZ-UHFFFAOYSA-N
XLogP-0.11
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid?
The IUPAC name of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid (CID 84811012) is 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid.
What is the SMILES notation for 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid?
The canonical SMILES for 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid is O=C(O)CN1CCCN(CC(F)(F)F)S1(=O)=O.
What is the InChIKey of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid?
The InChIKey is FYEBPGMMBIYFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O4S/c8-7(9,10)5-12-3-1-2-11(4-6(13)14)17(12,15)16/h1-5H2,(H,13,14).
What are the key properties of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid?
2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid has a molecular weight of 276.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid is sourced from PubChem (CID 84811012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).