2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one

C12H19NO3S — CID 68629436

IUPAC2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
SMILESCC1(C)SC=C(OCCN2CCOCC2)C1=O
InChIInChI=1S/C12H19NO3S/c1-12(2)11(14)10(9-17-12)16-8-5-13-3-6-15-7-4-13/h9H,3-8H2,1-2H3
InChIKeyFINIKEWSDDFSII-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.27
Rot. Bonds4

About 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one

2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one (PubChem CID 68629436) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
PubChem CID68629436
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
SMILESCC1(C)SC=C(OCCN2CCOCC2)C1=O
InChIInChI=1S/C12H19NO3S/c1-12(2)11(14)10(9-17-12)16-8-5-13-3-6-15-7-4-13/h9H,3-8H2,1-2H3
InChIKeyFINIKEWSDDFSII-UHFFFAOYSA-N
XLogP1.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The IUPAC name of 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one (CID 68629436) is 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The canonical SMILES for 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one is CC1(C)SC=C(OCCN2CCOCC2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The InChIKey is FINIKEWSDDFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2)11(14)10(9-17-12)16-8-5-13-3-6-15-7-4-13/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one has a molecular weight of 257.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one is sourced from PubChem (CID 68629436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).