2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C13H18BrNO2S — CID 79657291

IUPAC2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H18BrNO2S/c1-9(2)15-3-4-17-13(7-15)12(16)6-11-5-10(14)8-18-11/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyLNJQUDHANFRFPF-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 79657291) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID79657291
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H18BrNO2S/c1-9(2)15-3-4-17-13(7-15)12(16)6-11-5-10(14)8-18-11/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyLNJQUDHANFRFPF-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 113454527
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79663777
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 115333201
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657756
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79665135
2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
CID 79657753
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424657

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 79657291) is 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)N1CCOC(C(=O)Cc2cc(Br)cs2)C1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is LNJQUDHANFRFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-9(2)15-3-4-17-13(7-15)12(16)6-11-5-10(14)8-18-11/h5,8-9,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 332.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79657291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).