1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one

C12H16N2O3S — CID 166604192

IUPAC1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCS(=O)(=O)CC2)nc1
InChIInChI=1S/C12H16N2O3S/c1-2-11(15)10-3-4-12(13-9-10)14-5-7-18(16,17)8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyOQKSIHOAPUVEAX-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.91
Rot. Bonds3

About 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one

1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one (PubChem CID 166604192) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one
PubChem CID166604192
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCS(=O)(=O)CC2)nc1
InChIInChI=1S/C12H16N2O3S/c1-2-11(15)10-3-4-12(13-9-10)14-5-7-18(16,17)8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyOQKSIHOAPUVEAX-UHFFFAOYSA-N
XLogP0.91
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;hydrobromide
CID 87943984
4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
2-(dimethylamino)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 170895839
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-one
CID 112677314
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379251
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one (CID 166604192) is 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one is CCC(=O)c1ccc(N2CCS(=O)(=O)CC2)nc1.
What is the InChIKey of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one?
The InChIKey is OQKSIHOAPUVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-11(15)10-3-4-12(13-9-10)14-5-7-18(16,17)8-6-14/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one?
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one has a molecular weight of 268.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 166604192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).