2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

C18H22N2O2S — CID 119034502

IUPAC2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESCc1ccc(CN2CCOCC2CC(=O)c2cccs2)c(C)n1
InChIInChI=1S/C18H22N2O2S/c1-13-5-6-15(14(2)19-13)11-20-7-8-22-12-16(20)10-17(21)18-4-3-9-23-18/h3-6,9,16H,7-8,10-12H2,1-2H3
InChIKeyOASVXPPKDVQGFM-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (PubChem CID 119034502) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
PubChem CID119034502
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESCc1ccc(CN2CCOCC2CC(=O)c2cccs2)c(C)n1
InChIInChI=1S/C18H22N2O2S/c1-13-5-6-15(14(2)19-13)11-20-7-8-22-12-16(20)10-17(21)18-4-3-9-23-18/h3-6,9,16H,7-8,10-12H2,1-2H3
InChIKeyOASVXPPKDVQGFM-UHFFFAOYSA-N
XLogP3.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone with MolForge

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Related Compounds

1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811
2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99578863
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86817699
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86803507
2-[(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699245
2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile
CID 119034501
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699244
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86796926
2-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-N-phenylacetamide
CID 99699219
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416
2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 124608812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (CID 119034502) is 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is Cc1ccc(CN2CCOCC2CC(=O)c2cccs2)c(C)n1.
What is the InChIKey of 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The InChIKey is OASVXPPKDVQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-5-6-15(14(2)19-13)11-20-7-8-22-12-16(20)10-17(21)18-4-3-9-23-18/h3-6,9,16H,7-8,10-12H2,1-2H3.
What are the key properties of 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone has a molecular weight of 330.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 119034502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).