5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one

C19H22N2O2S — CID 24830512

IUPAC5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one
SMILESCC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccnc3)c2C1
InChIInChI=1S/C19H22N2O2S/c1-19(2)10-14-16(13-4-3-5-20-12-13)18(21-6-8-23-9-7-21)24-17(14)15(22)11-19/h3-5,12H,6-11H2,1-2H3
InChIKeyIUDXIFQEPDSVTQ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.80
Rot. Bonds2

About 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one

5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one (PubChem CID 24830512) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one.

Molecular Properties

Compound Name5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one
PubChem CID24830512
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one
SMILESCC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccnc3)c2C1
InChIInChI=1S/C19H22N2O2S/c1-19(2)10-14-16(13-4-3-5-20-12-13)18(21-6-8-23-9-7-21)24-17(14)15(22)11-19/h3-5,12H,6-11H2,1-2H3
InChIKeyIUDXIFQEPDSVTQ-UHFFFAOYSA-N
XLogP3.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one?
The IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one (CID 24830512) is 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one.
What is the SMILES notation for 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one?
The canonical SMILES for 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one is CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccnc3)c2C1.
What is the InChIKey of 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one?
The InChIKey is IUDXIFQEPDSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-19(2)10-14-16(13-4-3-5-20-12-13)18(21-6-8-23-9-7-21)24-17(14)15(22)11-19/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one?
5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one has a molecular weight of 342.46 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-morpholin-4-yl-3-pyridin-3-yl-4,6-dihydro-1-benzothiophen-7-one is sourced from PubChem (CID 24830512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).