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

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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).