4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine

C11H16BrNOS — CID 55208223

IUPAC4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-2-9-8-14-5-4-13(9)7-11-10(12)3-6-15-11/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyXOSFDMQTOGXZSQ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.12
Rot. Bonds3

About 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine

4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine (PubChem CID 55208223) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
PubChem CID55208223
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-2-9-8-14-5-4-13(9)7-11-10(12)3-6-15-11/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyXOSFDMQTOGXZSQ-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-[(3-bromothiophen-2-yl)methyl]-2-ethylazepane
CID 104691377
3-bromo-4-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 60790715
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
[4-[(3-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433286
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
(2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol
CID 100751408
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 70754291
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
CID 64832145
1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556015
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
CID 64842685

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine?
The IUPAC name of 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine (CID 55208223) is 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine is CCC1COCCN1Cc1sccc1Br.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine?
The InChIKey is XOSFDMQTOGXZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-2-9-8-14-5-4-13(9)7-11-10(12)3-6-15-11/h3,6,9H,2,4-5,7-8H2,1H3.
What are the key properties of 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine?
4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine has a molecular weight of 290.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine is sourced from PubChem (CID 55208223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).