1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone

C12H16ClNO2S — CID 43796615

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(CC(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C12H16ClNO2S/c1-2-9-7-14(5-6-16-9)8-10(15)11-3-4-12(13)17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyDHHINMIUMZCXJP-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.69
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone (PubChem CID 43796615) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
PubChem CID43796615
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(CC(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C12H16ClNO2S/c1-2-9-7-14(5-6-16-9)8-10(15)11-3-4-12(13)17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyDHHINMIUMZCXJP-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175254
1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777443
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79832873
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylacetamide
CID 95757813
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43797238
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204174
[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
CID 81210583
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43432347
1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone (CID 43796615) is 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone is CCC1CN(CC(=O)c2ccc(Cl)s2)CCO1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
The InChIKey is DHHINMIUMZCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-2-9-7-14(5-6-16-9)8-10(15)11-3-4-12(13)17-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone has a molecular weight of 273.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43796615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).