methyl 2-amino-4-cyclopentylthiophene-3-carboxylate

C11H15NO2S — CID 62633873

IUPACmethyl 2-amino-4-cyclopentylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CCCC2)csc1N
InChIInChI=1S/C11H15NO2S/c1-14-11(13)9-8(6-15-10(9)12)7-4-2-3-5-7/h6-7H,2-5,12H2,1H3
InChIKeyJJAWYYDQPZSLTJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.77
Rot. Bonds2

About methyl 2-amino-4-cyclopentylthiophene-3-carboxylate

methyl 2-amino-4-cyclopentylthiophene-3-carboxylate (PubChem CID 62633873) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 2-amino-4-cyclopentylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-cyclopentylthiophene-3-carboxylate
PubChem CID62633873
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-amino-4-cyclopentylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CCCC2)csc1N
InChIInChI=1S/C11H15NO2S/c1-14-11(13)9-8(6-15-10(9)12)7-4-2-3-5-7/h6-7H,2-5,12H2,1H3
InChIKeyJJAWYYDQPZSLTJ-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-4-cyclopentylthiophene-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-cyclopentylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-cyclopentylthiophene-3-carboxylate (CID 62633873) is methyl 2-amino-4-cyclopentylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-cyclopentylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-cyclopentylthiophene-3-carboxylate is COC(=O)c1c(C2CCCC2)csc1N.
What is the InChIKey of methyl 2-amino-4-cyclopentylthiophene-3-carboxylate?
The InChIKey is JJAWYYDQPZSLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-11(13)9-8(6-15-10(9)12)7-4-2-3-5-7/h6-7H,2-5,12H2,1H3.
What are the key properties of methyl 2-amino-4-cyclopentylthiophene-3-carboxylate?
methyl 2-amino-4-cyclopentylthiophene-3-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-cyclopentylthiophene-3-carboxylate is sourced from PubChem (CID 62633873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).