1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone

C11H15NO2S — CID 116595850

IUPAC1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
SMILESCc1cc(C(=O)CC2COCCN2)cs1
InChIInChI=1S/C11H15NO2S/c1-8-4-9(7-15-8)11(13)5-10-6-14-3-2-12-10/h4,7,10,12H,2-3,5-6H2,1H3
InChIKeySFOOWFKBIBCDGO-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.62
Rot. Bonds3

About 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone

1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone (PubChem CID 116595850) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
PubChem CID116595850
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
SMILESCc1cc(C(=O)CC2COCCN2)cs1
InChIInChI=1S/C11H15NO2S/c1-8-4-9(7-15-8)11(13)5-10-6-14-3-2-12-10/h4,7,10,12H,2-3,5-6H2,1H3
InChIKeySFOOWFKBIBCDGO-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone
CID 116919914
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone
CID 58514712
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116919885
3-(2-morpholin-3-ylacetyl)benzonitrile
CID 81467194
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
CID 116919919
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595835
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone (CID 116595850) is 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone is Cc1cc(C(=O)CC2COCCN2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone?
The InChIKey is SFOOWFKBIBCDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-4-9(7-15-8)11(13)5-10-6-14-3-2-12-10/h4,7,10,12H,2-3,5-6H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone?
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone has a molecular weight of 225.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116595850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).