(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone

C16H16N2O3S — CID 110711424

IUPAC(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C16H16N2O3S/c19-16(14-7-4-8-17-11-14)18-9-10-22(20,21)15(12-18)13-5-2-1-3-6-13/h1-8,11,15H,9-10,12H2
InChIKeyFFNLXHUWOZSHPS-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.69
Rot. Bonds2

About (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone

(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone (PubChem CID 110711424) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone
PubChem CID110711424
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C16H16N2O3S/c19-16(14-7-4-8-17-11-14)18-9-10-22(20,21)15(12-18)13-5-2-1-3-6-13/h1-8,11,15H,9-10,12H2
InChIKeyFFNLXHUWOZSHPS-UHFFFAOYSA-N
XLogP1.69
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate
CID 110711426
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46846380
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone?
The IUPAC name of (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone (CID 110711424) is (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCS(=O)(=O)C(c2ccccc2)C1.
What is the InChIKey of (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone?
The InChIKey is FFNLXHUWOZSHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-16(14-7-4-8-17-11-14)18-9-10-22(20,21)15(12-18)13-5-2-1-3-6-13/h1-8,11,15H,9-10,12H2.
What are the key properties of (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone?
(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone has a molecular weight of 316.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 110711424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).