6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C11H14F3N3O2S — CID 102717648

IUPAC6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(c1cc(C(F)(F)F)cc(N)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14F3N3O2S/c1-17(8-2-3-20(18,19)6-8)10-5-7(11(12,13)14)4-9(15)16-10/h4-5,8H,2-3,6H2,1H3,(H2,15,16)
InChIKeyXPVKHORRYLJPDX-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.31
Rot. Bonds2

About 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717648) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717648
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(c1cc(C(F)(F)F)cc(N)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14F3N3O2S/c1-17(8-2-3-20(18,19)6-8)10-5-7(11(12,13)14)4-9(15)16-10/h4-5,8H,2-3,6H2,1H3,(H2,15,16)
InChIKeyXPVKHORRYLJPDX-UHFFFAOYSA-N
XLogP1.31
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine 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-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717648) is 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CN(c1cc(C(F)(F)F)cc(N)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is XPVKHORRYLJPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-17(8-2-3-20(18,19)6-8)10-5-7(11(12,13)14)4-9(15)16-10/h4-5,8H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 309.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).