(5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

C13H12BrNO2S — CID 1474476

IUPAC(5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(Br)ccc2s1)N1CCOCC1
InChIInChI=1S/C13H12BrNO2S/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyONSQTENCLAUKIG-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.14
Rot. Bonds1

About (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

(5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 1474476) has the molecular formula C13H12BrNO2S and a molecular weight of 326.21 g/mol. Its IUPAC name is (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID1474476
Molecular FormulaC13H12BrNO2S
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name(5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(Br)ccc2s1)N1CCOCC1
InChIInChI=1S/C13H12BrNO2S/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyONSQTENCLAUKIG-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone 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 (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (CID 1474476) is (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is O=C(c1cc2cc(Br)ccc2s1)N1CCOCC1.
What is the InChIKey of (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is ONSQTENCLAUKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
(5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 326.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1474476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).