2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C11H10F3N3O2S — CID 58873791

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)9-2-1-8(7-15)10(16-9)17-3-5-20(18,19)6-4-17/h1-2H,3-6H2
InChIKeyYAUNWZKYIZSKOZ-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.21
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58873791) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58873791
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)9-2-1-8(7-15)10(16-9)17-3-5-20(18,19)6-4-17/h1-2H,3-6H2
InChIKeyYAUNWZKYIZSKOZ-UHFFFAOYSA-N
XLogP1.21
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 58873791) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YAUNWZKYIZSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-11(13,14)9-2-1-8(7-15)10(16-9)17-3-5-20(18,19)6-4-17/h1-2H,3-6H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 305.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58873791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).