4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine

C11H16BrNOS — CID 23737005

IUPAC4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C11H16BrNOS/c1-8-5-13(6-9(2)14-8)7-10-3-4-11(12)15-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWDHIJWXJKGEVDF-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.12
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine

4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 23737005) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
PubChem CID23737005
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C11H16BrNOS/c1-8-5-13(6-9(2)14-8)7-10-3-4-11(12)15-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWDHIJWXJKGEVDF-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine (CID 23737005) is 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2ccc(Br)s2)CC(C)O1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is WDHIJWXJKGEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8-5-13(6-9(2)14-8)7-10-3-4-11(12)15-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 290.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 23737005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).