6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

C12H16F3N3O2S — CID 102717613

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C12H16F3N3O2S/c1-2-16-10-7-9(12(13,14)15)8-11(17-10)18-3-5-21(19,20)6-4-18/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyIUEAPKWOBSWEOX-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.77
Rot. Bonds3

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102717613) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102717613
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C12H16F3N3O2S/c1-2-16-10-7-9(12(13,14)15)8-11(17-10)18-3-5-21(19,20)6-4-18/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyIUEAPKWOBSWEOX-UHFFFAOYSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine 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 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (CID 102717613) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IUEAPKWOBSWEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-2-16-10-7-9(12(13,14)15)8-11(17-10)18-3-5-21(19,20)6-4-18/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 323.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102717613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).