1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone

C15H16N2O2S — CID 110102530

IUPAC1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC(c2ccncc2)C1
InChIInChI=1S/C15H16N2O2S/c18-15(9-12-3-8-20-11-12)17-6-7-19-14(10-17)13-1-4-16-5-2-13/h1-5,8,11,14H,6-7,9-10H2
InChIKeyPLCJDRFUVTVBCD-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone

1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone (PubChem CID 110102530) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
PubChem CID110102530
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC(c2ccncc2)C1
InChIInChI=1S/C15H16N2O2S/c18-15(9-12-3-8-20-11-12)17-6-7-19-14(10-17)13-1-4-16-5-2-13/h1-5,8,11,14H,6-7,9-10H2
InChIKeyPLCJDRFUVTVBCD-UHFFFAOYSA-N
XLogP2.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124941277
2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983401
1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 92577855
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117117
1-[2-(2-aminoethyl)morpholin-4-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 154908174
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402914
(2R)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402913
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone (CID 110102530) is 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCOC(c2ccncc2)C1.
What is the InChIKey of 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone?
The InChIKey is PLCJDRFUVTVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(9-12-3-8-20-11-12)17-6-7-19-14(10-17)13-1-4-16-5-2-13/h1-5,8,11,14H,6-7,9-10H2.
What are the key properties of 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone?
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone has a molecular weight of 288.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 110102530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).