methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate

C11H15NO2S — CID 121199335

IUPACmethyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1c1ccc(C)s1
InChIInChI=1S/C11H15NO2S/c1-7-3-4-10(15-7)8-5-12-6-9(8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3
InChIKeyWRHCTXZASIJEAF-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.53
Rot. Bonds2

About methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate

methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate (PubChem CID 121199335) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate
PubChem CID121199335
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1c1ccc(C)s1
InChIInChI=1S/C11H15NO2S/c1-7-3-4-10(15-7)8-5-12-6-9(8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3
InChIKeyWRHCTXZASIJEAF-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(5-methylthiophen-2-yl)pyrrolidine-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 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate (CID 121199335) is methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate is COC(=O)C1CNCC1c1ccc(C)s1.
What is the InChIKey of methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is WRHCTXZASIJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-3-4-10(15-7)8-5-12-6-9(8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3.
What are the key properties of methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate?
methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 121199335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).