6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one

C12H16N2O2S — CID 114040378

IUPAC6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2cccc(=O)[nH]2)CC(C)S1
InChIInChI=1S/C12H16N2O2S/c1-8-6-14(7-9(2)17-8)12(16)10-4-3-5-11(15)13-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)
InChIKeyCSVMQLLUCWMUFS-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.34
Rot. Bonds1

About 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one

6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one (PubChem CID 114040378) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
PubChem CID114040378
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2cccc(=O)[nH]2)CC(C)S1
InChIInChI=1S/C12H16N2O2S/c1-8-6-14(7-9(2)17-8)12(16)10-4-3-5-11(15)13-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)
InChIKeyCSVMQLLUCWMUFS-UHFFFAOYSA-N
XLogP1.34
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
CID 114040137
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 114040424
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 175657671
6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
6-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-2-one
CID 106316330
6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 107261574
6-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyridin-2-one
CID 50951821
1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
CID 114040125
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one (CID 114040378) is 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one is CC1CN(C(=O)c2cccc(=O)[nH]2)CC(C)S1.
What is the InChIKey of 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The InChIKey is CSVMQLLUCWMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-6-14(7-9(2)17-8)12(16)10-4-3-5-11(15)13-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 114040378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).