5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one

C11H14N2O2S — CID 115611728

IUPAC5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]c2)CCS1
InChIInChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-2-3-10(14)12-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyWROJYLIQPHHVQZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.95
Rot. Bonds1

About 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one

5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one (PubChem CID 115611728) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
PubChem CID115611728
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]c2)CCS1
InChIInChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-2-3-10(14)12-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyWROJYLIQPHHVQZ-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

3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712777
3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103337464
(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611722
5-(7-thiophen-2-yl-1,4-thiazepane-4-carbonyl)-1H-pyridin-2-one
CID 90632577
5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 115730350
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666
5-[1-(3-methylazetidin-1-yl)ethenyl]-1H-pyridin-2-one
CID 156640941
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 79026034
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one (CID 115611728) is 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one is CC1CN(C(=O)c2ccc(=O)[nH]c2)CCS1.
What is the InChIKey of 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The InChIKey is WROJYLIQPHHVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-2-3-10(14)12-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,14).
What are the key properties of 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one?
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-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 5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 115611728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).