3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one

C11H14N2O2S — CID 103337464

IUPAC3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
SMILESCC1CN(C(=O)c2c[nH]ccc2=O)CCS1
InChIInChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-6-12-3-2-10(9)14/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyMDFYPYXSZHAHEX-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.95
Rot. Bonds1

About 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one

3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one (PubChem CID 103337464) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
PubChem CID103337464
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
SMILESCC1CN(C(=O)c2c[nH]ccc2=O)CCS1
InChIInChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-6-12-3-2-10(9)14/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyMDFYPYXSZHAHEX-UHFFFAOYSA-N
XLogP0.95
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103336976
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 115611728
3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103337171
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115696759
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103386618
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 115730350
1-(4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 103336874
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669
(2-bromo-4-methylphenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115766000

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one (CID 103337464) is 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one is CC1CN(C(=O)c2c[nH]ccc2=O)CCS1.
What is the InChIKey of 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
The InChIKey is MDFYPYXSZHAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-6-12-3-2-10(9)14/h2-3,6,8H,4-5,7H2,1H3,(H,12,14).
What are the key properties of 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one?
3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one has a molecular weight of 238.31 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 103337464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).