ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate

C15H17NO5S — CID 16767308

IUPACethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)C1=C(N2CCOCC2)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H17NO5S/c1-2-21-15(17)14-13(16-7-9-20-10-8-16)11-5-3-4-6-12(11)22(14,18)19/h3-6H,2,7-10H2,1H3
InChIKeyUIAZCFRGZNZKRT-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.04
Rot. Bonds3

About ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate

ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate (PubChem CID 16767308) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate
PubChem CID16767308
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Nameethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)C1=C(N2CCOCC2)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H17NO5S/c1-2-21-15(17)14-13(16-7-9-20-10-8-16)11-5-3-4-6-12(11)22(14,18)19/h3-6H,2,7-10H2,1H3
InChIKeyUIAZCFRGZNZKRT-UHFFFAOYSA-N
XLogP1.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(morpholine-4-carbonyl)-1,1-dioxo-1-benzothiophen-3-yl]piperidine-4-carboxylate
CID 16766636
ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
CID 5026808
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086640
ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate
CID 90833267
ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
CID 54691437
ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate
CID 146955630
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826

Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate (CID 16767308) is ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate is CCOC(=O)C1=C(N2CCOCC2)c2ccccc2S1(=O)=O.
What is the InChIKey of ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate?
The InChIKey is UIAZCFRGZNZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-2-21-15(17)14-13(16-7-9-20-10-8-16)11-5-3-4-6-12(11)22(14,18)19/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate?
ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-1,1-dioxo-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 16767308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).