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

C14H16ClNO2S — CID 23798

IUPAC1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride
SMILESO=C(C[NH+]1CCOCC1)c1csc2ccccc12.[Cl-]
InChIInChI=1S/C14H15NO2S.ClH/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;1H
InChIKeyWCYPINAQASUOBA-UHFFFAOYSA-N
MW297.81 g/mol
LogP-2.00
Rot. Bonds3

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

1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride (PubChem CID 23798) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride
PubChem CID23798
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride
SMILESO=C(C[NH+]1CCOCC1)c1csc2ccccc12.[Cl-]
InChIInChI=1S/C14H15NO2S.ClH/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;1H
InChIKeyWCYPINAQASUOBA-UHFFFAOYSA-N
XLogP-2.00
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Benzothien-3-yl)-3-(1-piperidinyl)-1-propanone
CID 268638
Ketone, benzo(b)thien-3-yl piperidinomethyl, hydrochloride
CID 23794
1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
CID 23796
3-(beta-Morpholinopropionyl) benzo[b]thiophene
CID 65540
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-3-yl-4-(1-piperidinyl)-, hydrobromide
CID 3046059
1-Butanone, 1-benzo(b)thien-3-yl-4-(4-morpholinyl)-, hydrobromide
CID 3046064
AQ 1994
CID 65539
N-(3-morpholin-4-ylpropyl)-2-phenyl-1-benzothiophene-3-carboxamide
CID 44202253
1-(1-Benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 52952419
1-(1-Benzothiophen-3-yl)-2-(diethylamino)ethanone
CID 821791

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride (CID 23798) is 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride is O=C(C[NH+]1CCOCC1)c1csc2ccccc12.[Cl-].
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride?
The InChIKey is WCYPINAQASUOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S.ClH/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;1H.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride?
1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride has a molecular weight of 297.81 g/mol, XLogP of -2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanone chloride is sourced from PubChem (CID 23798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).