5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one

C16H22N2O3S — CID 110017811

IUPAC5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
SMILESCC1CN(CC(O)Cn2ccc3sccc3c2=O)CC(C)O1
InChIInChI=1S/C16H22N2O3S/c1-11-7-17(8-12(2)21-11)9-13(19)10-18-5-3-15-14(16(18)20)4-6-22-15/h3-6,11-13,19H,7-10H2,1-2H3
InChIKeyOTBJHAGXCPAXBM-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.53
Rot. Bonds4

About 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one

5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one (PubChem CID 110017811) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
PubChem CID110017811
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
SMILESCC1CN(CC(O)Cn2ccc3sccc3c2=O)CC(C)O1
InChIInChI=1S/C16H22N2O3S/c1-11-7-17(8-12(2)21-11)9-13(19)10-18-5-3-15-14(16(18)20)4-6-22-15/h3-6,11-13,19H,7-10H2,1-2H3
InChIKeyOTBJHAGXCPAXBM-UHFFFAOYSA-N
XLogP1.53
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 95582439
5-[3-(tert-butylamino)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
CID 112557021
5-[2-hydroxy-3-(2-methylpropylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 112557026
5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one
CID 167784284
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 110017813
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one
CID 47073559
5-[2-(bromomethyl)-3,3-dimethylbutyl]thieno[3,2-c]pyridin-4-one
CID 112557005
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 47556544
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one (CID 110017811) is 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one is CC1CN(CC(O)Cn2ccc3sccc3c2=O)CC(C)O1.
What is the InChIKey of 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is OTBJHAGXCPAXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11-7-17(8-12(2)21-11)9-13(19)10-18-5-3-15-14(16(18)20)4-6-22-15/h3-6,11-13,19H,7-10H2,1-2H3.
What are the key properties of 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one?
5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 322.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 110017811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).