methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate

C10H13NO2S — CID 130001149

IUPACmethyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C2CCCN2)s1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)9-5-4-8(14-9)7-3-2-6-11-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyDPUGWQFBYPFMQG-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.96
Rot. Bonds2

About methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate

methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate (PubChem CID 130001149) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
PubChem CID130001149
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C2CCCN2)s1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)9-5-4-8(14-9)7-3-2-6-11-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyDPUGWQFBYPFMQG-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-pyrrolidin-2-ylthiophene-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

methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
CID 45251024
N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45208476
methyl 5-piperidin-2-ylthiophene-3-carboxylate
CID 130022786
N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45178110
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534
N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31106243
N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 45223177
N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
2-(5-methoxythiophen-2-yl)piperidine
CID 130164086
[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70757931
5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 31017599

Frequently Asked Questions

What is the IUPAC name of methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate (CID 130001149) is methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate is COC(=O)c1ccc(C2CCCN2)s1.
What is the InChIKey of methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate?
The InChIKey is DPUGWQFBYPFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(12)9-5-4-8(14-9)7-3-2-6-11-7/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate?
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 130001149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).