ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate

C14H19N3O2S — CID 103505607

IUPACethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N2CCC(C)(C)C2)c(C#N)c1N
InChIInChI=1S/C14H19N3O2S/c1-4-19-13(18)11-10(16)9(7-15)12(20-11)17-6-5-14(2,3)8-17/h4-6,8,16H2,1-3H3
InChIKeyOVURNZZPNCAKLM-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.61
Rot. Bonds3

About ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate

ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate (PubChem CID 103505607) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate
PubChem CID103505607
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N2CCC(C)(C)C2)c(C#N)c1N
InChIInChI=1S/C14H19N3O2S/c1-4-19-13(18)11-10(16)9(7-15)12(20-11)17-6-5-14(2,3)8-17/h4-6,8,16H2,1-3H3
InChIKeyOVURNZZPNCAKLM-UHFFFAOYSA-N
XLogP2.61
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
CID 14579843
5-acetyl-4-amino-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103421724
ethyl 3-amino-4-cyano-5-(1,4-oxazepan-4-yl)thiophene-2-carboxylate
CID 103421819
ethyl 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxylate
CID 103507667
4-amino-2-(3,3-dimethylpiperidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422565
3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
CID 103422771
dimethyl 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarboxylate
CID 103505574
5-acetyl-4-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103505534
4-amino-2-(2,2-dimethylthiomorpholin-4-yl)-5-propanoylthiophene-3-carbonitrile
CID 103506670
methyl 3-amino-4-cyano-5-(1,1-dioxo-1,4-thiazinan-4-yl)thiophene-2-carboxylate
CID 103509270
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
ethyl 3-amino-4-cyano-5-(methylamino)thiophene-2-carboxylate
CID 103424239

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate (CID 103505607) is ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate is CCOC(=O)c1sc(N2CCC(C)(C)C2)c(C#N)c1N.
What is the InChIKey of ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate?
The InChIKey is OVURNZZPNCAKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-19-13(18)11-10(16)9(7-15)12(20-11)17-6-5-14(2,3)8-17/h4-6,8,16H2,1-3H3.
What are the key properties of ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate?
ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 103505607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).