2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O3S — CID 80520036

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H19F3N2O3S/c1-2-4-16(8-11(12,13)14)10(17)6-9-7-20(18,19)5-3-15-9/h9,15H,2-8H2,1H3
InChIKeyAGLTWXHMXSKJGZ-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.56
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80520036) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80520036
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H19F3N2O3S/c1-2-4-16(8-11(12,13)14)10(17)6-9-7-20(18,19)5-3-15-9/h9,15H,2-8H2,1H3
InChIKeyAGLTWXHMXSKJGZ-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide 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-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 80520036) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AGLTWXHMXSKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c1-2-4-16(8-11(12,13)14)10(17)6-9-7-20(18,19)5-3-15-9/h9,15H,2-8H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 316.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80520036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).