4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine

C10H14BrNOS — CID 67046884

IUPAC4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine
SMILESCc1cc(CN2CCOCC2)sc1Br
InChIInChI=1S/C10H14BrNOS/c1-8-6-9(14-10(8)11)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3
InChIKeyQAAUDRIEJYHUCX-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.65
Rot. Bonds2

About 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine

4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine (PubChem CID 67046884) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine
PubChem CID67046884
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine
SMILESCc1cc(CN2CCOCC2)sc1Br
InChIInChI=1S/C10H14BrNOS/c1-8-6-9(14-10(8)11)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3
InChIKeyQAAUDRIEJYHUCX-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine (CID 67046884) is 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine is Cc1cc(CN2CCOCC2)sc1Br.
What is the InChIKey of 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine?
The InChIKey is QAAUDRIEJYHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-8-6-9(14-10(8)11)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3.
What are the key properties of 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine?
4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine has a molecular weight of 276.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-4-methylthiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 67046884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).