4-[(4-bromothiophen-2-yl)methyl]morpholine

C9H12BrNOS — CID 783497

IUPAC4-[(4-bromothiophen-2-yl)methyl]morpholine
SMILESBrc1csc(CN2CCOCC2)c1
InChIInChI=1S/C9H12BrNOS/c10-8-5-9(13-7-8)6-11-1-3-12-4-2-11/h5,7H,1-4,6H2
InChIKeyXYQVGDMXJNORKK-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.34
Rot. Bonds2

About 4-[(4-bromothiophen-2-yl)methyl]morpholine

4-[(4-bromothiophen-2-yl)methyl]morpholine (PubChem CID 783497) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 4-[(4-bromothiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromothiophen-2-yl)methyl]morpholine
PubChem CID783497
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name4-[(4-bromothiophen-2-yl)methyl]morpholine
SMILESBrc1csc(CN2CCOCC2)c1
InChIInChI=1S/C9H12BrNOS/c10-8-5-9(13-7-8)6-11-1-3-12-4-2-11/h5,7H,1-4,6H2
InChIKeyXYQVGDMXJNORKK-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]morpholine (CID 783497) is 4-[(4-bromothiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromothiophen-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromothiophen-2-yl)methyl]morpholine is Brc1csc(CN2CCOCC2)c1.
What is the InChIKey of 4-[(4-bromothiophen-2-yl)methyl]morpholine?
The InChIKey is XYQVGDMXJNORKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c10-8-5-9(13-7-8)6-11-1-3-12-4-2-11/h5,7H,1-4,6H2.
What are the key properties of 4-[(4-bromothiophen-2-yl)methyl]morpholine?
4-[(4-bromothiophen-2-yl)methyl]morpholine has a molecular weight of 262.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 783497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).