1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

C17H21N3O2S — CID 124979682

IUPAC1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCNc1cccc([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1
InChIInChI=1S/C17H21N3O2S/c1-18-16-6-2-5-14(19-16)15-12-20(9-10-22-15)17(21)8-7-13-4-3-11-23-13/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyMDEBQMKWZXKIIH-OAHLLOKOSA-N
MW331.44 g/mol
LogP2.72
Rot. Bonds5

About 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 124979682) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID124979682
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCNc1cccc([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1
InChIInChI=1S/C17H21N3O2S/c1-18-16-6-2-5-14(19-16)15-12-20(9-10-22-15)17(21)8-7-13-4-3-11-23-13/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyMDEBQMKWZXKIIH-OAHLLOKOSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110112507
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124960617
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125003170

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (CID 124979682) is 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is CNc1cccc([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1.
What is the InChIKey of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is MDEBQMKWZXKIIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-18-16-6-2-5-14(19-16)15-12-20(9-10-22-15)17(21)8-7-13-4-3-11-23-13/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 331.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 124979682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).