2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone

C13H18BrNO2S — CID 79668781

IUPAC2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2sccc2Br)C1
InChIInChI=1S/C13H18BrNO2S/c1-2-4-15-5-6-17-12(9-15)11(16)8-13-10(14)3-7-18-13/h3,7,12H,2,4-6,8-9H2,1H3
InChIKeyCHIMRKGQRLDJFR-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.73
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone (PubChem CID 79668781) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
PubChem CID79668781
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2sccc2Br)C1
InChIInChI=1S/C13H18BrNO2S/c1-2-4-15-5-6-17-12(9-15)11(16)8-13-10(14)3-7-18-13/h3,7,12H,2,4-6,8-9H2,1H3
InChIKeyCHIMRKGQRLDJFR-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79663279
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
2-[4-[(3-bromothiophen-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66435818
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 82822768
2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003
(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79742554
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669620

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone (CID 79668781) is 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone is CCCN1CCOC(C(=O)Cc2sccc2Br)C1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone?
The InChIKey is CHIMRKGQRLDJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-2-4-15-5-6-17-12(9-15)11(16)8-13-10(14)3-7-18-13/h3,7,12H,2,4-6,8-9H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone has a molecular weight of 332.26 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).