(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone

C11H14FN3O3S — CID 105384993

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1nccc(C(=O)N2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C11H14FN3O3S/c1-13-10-9(12)8(2-3-14-10)11(16)15-4-6-19(17,18)7-5-15/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeyZDFRDJYKMNLLKR-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.13
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone (PubChem CID 105384993) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
PubChem CID105384993
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1nccc(C(=O)N2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C11H14FN3O3S/c1-13-10-9(12)8(2-3-14-10)11(16)15-4-6-19(17,18)7-5-15/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeyZDFRDJYKMNLLKR-UHFFFAOYSA-N
XLogP0.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
3,4-dihydro-1H-isoquinolin-2-yl-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384411
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105386922
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
[3-fluoro-2-(methylamino)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965878
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387710
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228724
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301
(2,3-difluorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 113234293

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone (CID 105384993) is (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone is CNc1nccc(C(=O)N2CCS(=O)(=O)CC2)c1F.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is ZDFRDJYKMNLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c1-13-10-9(12)8(2-3-14-10)11(16)15-4-6-19(17,18)7-5-15/h2-3H,4-7H2,1H3,(H,13,14).
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 287.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105384993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).