ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate

C11H15NO2S — CID 114748147

IUPACethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cscc1C1CCCN1
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-15-6-8(9)10-4-3-5-12-10/h6-7,10,12H,2-5H2,1H3
InChIKeyPNVMULADHLPUJU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.35
Rot. Bonds3

About ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate

ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate (PubChem CID 114748147) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
PubChem CID114748147
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cscc1C1CCCN1
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-15-6-8(9)10-4-3-5-12-10/h6-7,10,12H,2-5H2,1H3
InChIKeyPNVMULADHLPUJU-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
ethyl 4-pyrrolidin-2-ylbenzoate
CID 146447328
ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
CID 60717312
(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine
CID 130648179
ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
CID 96839534
5-ethoxycarbonyl-4-[(2S)-pyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 53468888
ethyl 4-methoxythiophene-3-carboxylate
CID 71721051
4-[(2S)-piperidin-2-yl]thiophen-3-ol
CID 130699846
ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate
CID 117275252
ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067999
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 165143037

Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate (CID 114748147) is ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate is CCOC(=O)c1cscc1C1CCCN1.
What is the InChIKey of ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate?
The InChIKey is PNVMULADHLPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-15-6-8(9)10-4-3-5-12-10/h6-7,10,12H,2-5H2,1H3.
What are the key properties of ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate?
ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 114748147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).