1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone

C14H15NO2S — CID 23799

IUPAC1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)c1csc2ccccc12
InChIInChI=1S/C14H15NO2S/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14/h1-4,10H,5-9H2
InChIKeyILBXVGUTYHDVHL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone

1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone (PubChem CID 23799) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone
PubChem CID23799
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)c1csc2ccccc12
InChIInChI=1S/C14H15NO2S/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14/h1-4,10H,5-9H2
InChIKeyILBXVGUTYHDVHL-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzo[b]thiophen-2-yl(morpholino)methanone
CID 2798285
1-(1-Benzothien-3-yl)-3-(1-piperidinyl)-1-propanone
CID 268638
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 92832179
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-ethyl-1-benzothiophen-2-yl)methanone
CID 137645899
Ketone, benzo(b)thien-3-yl piperidinomethyl, hydrochloride
CID 23794
1-benzothiophen-2-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 6976472
3-(beta-Morpholinopropionyl) benzo[b]thiophene
CID 65540
1-(1-Benzothiophen-3-yl)-2-(morpholin-4-yl)ethan-1-one--hydrogen chloride (1/1)
CID 23798
Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride
CID 23867
1-Butanone, 1-benzo(b)thien-2-yl-4-(4-morpholinyl)-, hydrochloride
CID 3046044
1-Butanone, 1-benzo(b)thien-2-yl-4-(1-piperidinyl)-, hydrochloride
CID 3046048
1-Butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, hydrobromide
CID 3046050

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone (CID 23799) is 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone?
The InChIKey is ILBXVGUTYHDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14/h1-4,10H,5-9H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone?
1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone has a molecular weight of 261.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 23799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).