2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone

C17H25NO2S — CID 79059531

IUPAC2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCCc1ccc(CC(=O)C2(N3CCOCC3)CCCC2)s1
InChIInChI=1S/C17H25NO2S/c1-2-14-5-6-15(21-14)13-16(19)17(7-3-4-8-17)18-9-11-20-12-10-18/h5-6H,2-4,7-13H2,1H3
InChIKeyBSFSUEKJQGMBTC-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.07
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone

2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone (PubChem CID 79059531) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
PubChem CID79059531
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCCc1ccc(CC(=O)C2(N3CCOCC3)CCCC2)s1
InChIInChI=1S/C17H25NO2S/c1-2-14-5-6-15(21-14)13-16(19)17(7-3-4-8-17)18-9-11-20-12-10-18/h5-6H,2-4,7-13H2,1H3
InChIKeyBSFSUEKJQGMBTC-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825005
2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829547
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79058765
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
CID 116578854
3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one
CID 79179560
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116750094
4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one
CID 79059282
2,2-dimethyl-1-(1-morpholin-4-ylcyclopentyl)propan-1-one
CID 79057514
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone (CID 79059531) is 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone is CCc1ccc(CC(=O)C2(N3CCOCC3)CCCC2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
The InChIKey is BSFSUEKJQGMBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-2-14-5-6-15(21-14)13-16(19)17(7-3-4-8-17)18-9-11-20-12-10-18/h5-6H,2-4,7-13H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone has a molecular weight of 307.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone is sourced from PubChem (CID 79059531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).