3-(thiophen-3-ylmethyl)pyrrolidine

C9H13NS — CID 83682618

IUPAC3-(thiophen-3-ylmethyl)pyrrolidine
SMILESc1cc(CC2CCNC2)cs1
InChIInChI=1S/C9H13NS/c1-3-10-6-8(1)5-9-2-4-11-7-9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyLLGVKWRCPWPWNJ-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.90
Rot. Bonds2

About 3-(thiophen-3-ylmethyl)pyrrolidine

3-(thiophen-3-ylmethyl)pyrrolidine (PubChem CID 83682618) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 3-(thiophen-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(thiophen-3-ylmethyl)pyrrolidine
PubChem CID83682618
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name3-(thiophen-3-ylmethyl)pyrrolidine
SMILESc1cc(CC2CCNC2)cs1
InChIInChI=1S/C9H13NS/c1-3-10-6-8(1)5-9-2-4-11-7-9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyLLGVKWRCPWPWNJ-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(thiophen-3-ylmethyl)pyrrolidine 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

N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
3-(2-thiophen-3-ylethyl)azepane
CID 104680659
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
3-(2-thiophen-3-ylethyl)azetidine
CID 79451396
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
(3S)-3-(thiophen-3-ylmethoxy)piperidine
CID 66247968
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
4-(pyrrolidin-3-ylmethyl)benzaldehyde
CID 105443694

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylmethyl)pyrrolidine?
The IUPAC name of 3-(thiophen-3-ylmethyl)pyrrolidine (CID 83682618) is 3-(thiophen-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(thiophen-3-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(thiophen-3-ylmethyl)pyrrolidine is c1cc(CC2CCNC2)cs1.
What is the InChIKey of 3-(thiophen-3-ylmethyl)pyrrolidine?
The InChIKey is LLGVKWRCPWPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-10-6-8(1)5-9-2-4-11-7-9/h2,4,7-8,10H,1,3,5-6H2.
What are the key properties of 3-(thiophen-3-ylmethyl)pyrrolidine?
3-(thiophen-3-ylmethyl)pyrrolidine has a molecular weight of 167.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 83682618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).