4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine

C11H16BrNOS — CID 86993054

IUPAC4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2csc(Br)c2)CCO1
InChIInChI=1S/C11H16BrNOS/c1-11(2)8-13(3-4-14-11)6-9-5-10(12)15-7-9/h5,7H,3-4,6,8H2,1-2H3
InChIKeyGXUPYYBUIOJJJW-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.12
Rot. Bonds2

About 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine

4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine (PubChem CID 86993054) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
PubChem CID86993054
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2csc(Br)c2)CCO1
InChIInChI=1S/C11H16BrNOS/c1-11(2)8-13(3-4-14-11)6-9-5-10(12)15-7-9/h5,7H,3-4,6,8H2,1-2H3
InChIKeyGXUPYYBUIOJJJW-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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Related Compounds

1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774960
2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 115557043
[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779935
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
CID 43592942
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-iodoaniline
CID 112750999
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976791
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
5-[(2,2-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62184542
3-[5-[(2,2-dimethylmorpholin-4-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76919082

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine (CID 86993054) is 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine is CC1(C)CN(Cc2csc(Br)c2)CCO1.
What is the InChIKey of 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine?
The InChIKey is GXUPYYBUIOJJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-11(2)8-13(3-4-14-11)6-9-5-10(12)15-7-9/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of 4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine?
4-[(5-bromothiophen-3-yl)methyl]-2,2-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-3-yl)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 86993054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).