(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H16N2O3S — CID 71933483

IUPAC(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCS(=O)(=O)CC2)c(C)n1
InChIInChI=1S/C12H16N2O3S/c1-9-3-4-11(10(2)13-9)12(15)14-5-7-18(16,17)8-6-14/h3-4H,5-8H2,1-2H3
InChIKeyALIVORITCKBUJT-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.57
Rot. Bonds1

About (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 71933483) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID71933483
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCS(=O)(=O)CC2)c(C)n1
InChIInChI=1S/C12H16N2O3S/c1-9-3-4-11(10(2)13-9)12(15)14-5-7-18(16,17)8-6-14/h3-4H,5-8H2,1-2H3
InChIKeyALIVORITCKBUJT-UHFFFAOYSA-N
XLogP0.57
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 106839172
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
(4-amino-6-methyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81243379
(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 71933483) is (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is ALIVORITCKBUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-3-4-11(10(2)13-9)12(15)14-5-7-18(16,17)8-6-14/h3-4H,5-8H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 268.34 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 71933483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).