ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate

C14H19N3O3S — CID 103509319

IUPACethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOC(C)(C)C2)sc(C#N)c1N
InChIInChI=1S/C14H19N3O3S/c1-4-19-13(18)10-11(16)9(7-15)21-12(10)17-5-6-20-14(2,3)8-17/h4-6,8,16H2,1-3H3
InChIKeyQLUVZPCMKVUGEP-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.99
Rot. Bonds3

About ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate

ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate (PubChem CID 103509319) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate
PubChem CID103509319
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Nameethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOC(C)(C)C2)sc(C#N)c1N
InChIInChI=1S/C14H19N3O3S/c1-4-19-13(18)10-11(16)9(7-15)21-12(10)17-5-6-20-14(2,3)8-17/h4-6,8,16H2,1-3H3
InChIKeyQLUVZPCMKVUGEP-UHFFFAOYSA-N
XLogP1.99
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-amino-2-(azepan-1-yl)-5-cyanothiophene-3-carboxylate
CID 103419617
ethyl 4-amino-5-cyano-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxylate
CID 103506248
4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103509328
ethyl 5-acetyl-4-amino-2-(1,4-oxazepan-4-yl)thiophene-3-carboxylate
CID 103421769
ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103505607
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083
ethyl 3-amino-4-cyano-5-(1,4-oxazepan-4-yl)thiophene-2-carboxylate
CID 103421819
ethyl 4-amino-5-cyano-2-[(1-methylpyrrolidin-3-yl)methylamino]thiophene-3-carboxylate
CID 103431139
methyl 4-amino-5-cyano-2-(4-methyl-1,4-diazepan-1-yl)thiophene-3-carboxylate
CID 103420612
4-O-ethyl 2-O-methyl 3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarboxylate
CID 103418425
ethyl 4-amino-5-cyano-2-[(1-methylpyrrolidin-3-yl)amino]thiophene-3-carboxylate
CID 103508027
methyl 4-amino-5-cyano-2-(3,5-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418543

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate (CID 103509319) is ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate is CCOC(=O)c1c(N2CCOC(C)(C)C2)sc(C#N)c1N.
What is the InChIKey of ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate?
The InChIKey is QLUVZPCMKVUGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-19-13(18)10-11(16)9(7-15)21-12(10)17-5-6-20-14(2,3)8-17/h4-6,8,16H2,1-3H3.
What are the key properties of ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate?
ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate is sourced from PubChem (CID 103509319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).