5-benzyl-2-(4-bromothiophen-2-yl)morpholine

C15H16BrNOS — CID 107355140

IUPAC5-benzyl-2-(4-bromothiophen-2-yl)morpholine
SMILESBrc1csc(C2CNC(Cc3ccccc3)CO2)c1
InChIInChI=1S/C15H16BrNOS/c16-12-7-15(19-10-12)14-8-17-13(9-18-14)6-11-4-2-1-3-5-11/h1-5,7,10,13-14,17H,6,8-9H2
InChIKeyGYNSBSNNSQTKAD-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.78
Rot. Bonds3

About 5-benzyl-2-(4-bromothiophen-2-yl)morpholine

5-benzyl-2-(4-bromothiophen-2-yl)morpholine (PubChem CID 107355140) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 5-benzyl-2-(4-bromothiophen-2-yl)morpholine.

Molecular Properties

Compound Name5-benzyl-2-(4-bromothiophen-2-yl)morpholine
PubChem CID107355140
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name5-benzyl-2-(4-bromothiophen-2-yl)morpholine
SMILESBrc1csc(C2CNC(Cc3ccccc3)CO2)c1
InChIInChI=1S/C15H16BrNOS/c16-12-7-15(19-10-12)14-8-17-13(9-18-14)6-11-4-2-1-3-5-11/h1-5,7,10,13-14,17H,6,8-9H2
InChIKeyGYNSBSNNSQTKAD-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-bromothiophen-2-yl)morpholine?
The IUPAC name of 5-benzyl-2-(4-bromothiophen-2-yl)morpholine (CID 107355140) is 5-benzyl-2-(4-bromothiophen-2-yl)morpholine.
What is the SMILES notation for 5-benzyl-2-(4-bromothiophen-2-yl)morpholine?
The canonical SMILES for 5-benzyl-2-(4-bromothiophen-2-yl)morpholine is Brc1csc(C2CNC(Cc3ccccc3)CO2)c1.
What is the InChIKey of 5-benzyl-2-(4-bromothiophen-2-yl)morpholine?
The InChIKey is GYNSBSNNSQTKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-12-7-15(19-10-12)14-8-17-13(9-18-14)6-11-4-2-1-3-5-11/h1-5,7,10,13-14,17H,6,8-9H2.
What are the key properties of 5-benzyl-2-(4-bromothiophen-2-yl)morpholine?
5-benzyl-2-(4-bromothiophen-2-yl)morpholine has a molecular weight of 338.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-bromothiophen-2-yl)morpholine is sourced from PubChem (CID 107355140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).