1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one

C13H18N2O2S — CID 78832095

IUPAC1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one
SMILESCC1CN(C(=O)C(C)Sc2ccccn2)CCO1
InChIInChI=1S/C13H18N2O2S/c1-10-9-15(7-8-17-10)13(16)11(2)18-12-5-3-4-6-14-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyBUPZBFQFJKHAEH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.81
Rot. Bonds3

About 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one

1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one (PubChem CID 78832095) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one
PubChem CID78832095
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one
SMILESCC1CN(C(=O)C(C)Sc2ccccn2)CCO1
InChIInChI=1S/C13H18N2O2S/c1-10-9-15(7-8-17-10)13(16)11(2)18-12-5-3-4-6-14-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyBUPZBFQFJKHAEH-UHFFFAOYSA-N
XLogP1.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[4-[(2S)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-1-yl]butanenitrile
CID 97030708
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-2-ylsulfanylethanone
CID 25337251
3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one
CID 62877976
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one
CID 97127412
1-[(2R)-2-methylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36629682
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate
CID 125138000
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 94797380
2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-N-[(1R)-1-phenylethyl]acetamide
CID 125141946

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one (CID 78832095) is 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one is CC1CN(C(=O)C(C)Sc2ccccn2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one?
The InChIKey is BUPZBFQFJKHAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10-9-15(7-8-17-10)13(16)11(2)18-12-5-3-4-6-14-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one?
1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one has a molecular weight of 266.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-pyridin-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 78832095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).