1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride

C16H20ClNO2S — CID 3046044

IUPAC1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCOCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO2S.ClH/c18-14(5-3-7-17-8-10-19-11-9-17)16-12-13-4-1-2-6-15(13)20-16;/h1-2,4,6,12H,3,5,7-11H2;1H
InChIKeyAUDFWFIBYGOHRY-UHFFFAOYSA-N
MW325.86 g/mol
LogP3.62
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride

1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride (PubChem CID 3046044) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride
PubChem CID3046044
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCOCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H19NO2S.ClH/c18-14(5-3-7-17-8-10-19-11-9-17)16-12-13-4-1-2-6-15(13)20-16;/h1-2,4,6,12H,3,5,7-11H2;1H
InChIKeyAUDFWFIBYGOHRY-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride (CID 3046044) is 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride is Cl.O=C(CCCN1CCOCC1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride?
The InChIKey is AUDFWFIBYGOHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S.ClH/c18-14(5-3-7-17-8-10-19-11-9-17)16-12-13-4-1-2-6-15(13)20-16;/h1-2,4,6,12H,3,5,7-11H2;1H.
What are the key properties of 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride?
1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride has a molecular weight of 325.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 3046044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).