1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide

C16H20BrNO2S — CID 3046064

IUPAC1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide
SMILESBr.O=C(CCCN1CCOCC1)c1csc2ccccc12
InChIInChI=1S/C16H19NO2S.BrH/c18-15(5-3-7-17-8-10-19-11-9-17)14-12-20-16-6-2-1-4-13(14)16;/h1-2,4,6,12H,3,5,7-11H2;1H
InChIKeyHGZQQDGCICBEFZ-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.77
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide

1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide (PubChem CID 3046064) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide
PubChem CID3046064
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC Name1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide
SMILESBr.O=C(CCCN1CCOCC1)c1csc2ccccc12
InChIInChI=1S/C16H19NO2S.BrH/c18-15(5-3-7-17-8-10-19-11-9-17)14-12-20-16-6-2-1-4-13(14)16;/h1-2,4,6,12H,3,5,7-11H2;1H
InChIKeyHGZQQDGCICBEFZ-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide?
The IUPAC name of 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide (CID 3046064) is 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide is Br.O=C(CCCN1CCOCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide?
The InChIKey is HGZQQDGCICBEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S.BrH/c18-15(5-3-7-17-8-10-19-11-9-17)14-12-20-16-6-2-1-4-13(14)16;/h1-2,4,6,12H,3,5,7-11H2;1H.
What are the key properties of 1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide?
1-(1-benzothiophen-3-yl)-4-morpholin-4-ylbutan-1-one;hydrobromide has a molecular weight of 370.31 g/mol, XLogP of 3.77, 5 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)-4-morpholin-4-ylbutan-1-one;hydrobromide is sourced from PubChem (CID 3046064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).