4-(4-bromo-1-benzothiophen-2-yl)morpholine

C12H12BrNOS — CID 129160692

IUPAC4-(4-bromo-1-benzothiophen-2-yl)morpholine
SMILESBrc1cccc2sc(N3CCOCC3)cc12
InChIInChI=1S/C12H12BrNOS/c13-10-2-1-3-11-9(10)8-12(16-11)14-4-6-15-7-5-14/h1-3,8H,4-7H2
InChIKeyINWIAWLAJJSSFD-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.50
Rot. Bonds1

About 4-(4-bromo-1-benzothiophen-2-yl)morpholine

4-(4-bromo-1-benzothiophen-2-yl)morpholine (PubChem CID 129160692) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 4-(4-bromo-1-benzothiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-bromo-1-benzothiophen-2-yl)morpholine
PubChem CID129160692
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name4-(4-bromo-1-benzothiophen-2-yl)morpholine
SMILESBrc1cccc2sc(N3CCOCC3)cc12
InChIInChI=1S/C12H12BrNOS/c13-10-2-1-3-11-9(10)8-12(16-11)14-4-6-15-7-5-14/h1-3,8H,4-7H2
InChIKeyINWIAWLAJJSSFD-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-benzothiophen-2-yl)morpholine?
The IUPAC name of 4-(4-bromo-1-benzothiophen-2-yl)morpholine (CID 129160692) is 4-(4-bromo-1-benzothiophen-2-yl)morpholine.
What is the SMILES notation for 4-(4-bromo-1-benzothiophen-2-yl)morpholine?
The canonical SMILES for 4-(4-bromo-1-benzothiophen-2-yl)morpholine is Brc1cccc2sc(N3CCOCC3)cc12.
What is the InChIKey of 4-(4-bromo-1-benzothiophen-2-yl)morpholine?
The InChIKey is INWIAWLAJJSSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-10-2-1-3-11-9(10)8-12(16-11)14-4-6-15-7-5-14/h1-3,8H,4-7H2.
What are the key properties of 4-(4-bromo-1-benzothiophen-2-yl)morpholine?
4-(4-bromo-1-benzothiophen-2-yl)morpholine has a molecular weight of 298.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-benzothiophen-2-yl)morpholine is sourced from PubChem (CID 129160692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).