pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene

C12H19NS3 — CID 142599505

IUPACpyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene
SMILESC1CCNC1.c1csc(SC2CCSC2)c1
InChIInChI=1S/C8H10S3.C4H9N/c1-2-8(10-4-1)11-7-3-5-9-6-7;1-2-4-5-3-1/h1-2,4,7H,3,5-6H2;5H,1-4H2
InChIKeyHJDJVKCZORPYFK-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.72
Rot. Bonds2

About pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene

pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene (PubChem CID 142599505) has the molecular formula C12H19NS3 and a molecular weight of 273.49 g/mol. Its IUPAC name is pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene.

Molecular Properties

Compound Namepyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene
PubChem CID142599505
Molecular FormulaC12H19NS3
Molecular Weight273.49 g/mol
Exact Mass273.07
IUPAC Namepyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene
SMILESC1CCNC1.c1csc(SC2CCSC2)c1
InChIInChI=1S/C8H10S3.C4H9N/c1-2-8(10-4-1)11-7-3-5-9-6-7;1-2-4-5-3-1/h1-2,4,7H,3,5-6H2;5H,1-4H2
InChIKeyHJDJVKCZORPYFK-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene 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 pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene?
The IUPAC name of pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene (CID 142599505) is pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene.
What is the SMILES notation for pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene?
The canonical SMILES for pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene is C1CCNC1.c1csc(SC2CCSC2)c1.
What is the InChIKey of pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene?
The InChIKey is HJDJVKCZORPYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S3.C4H9N/c1-2-8(10-4-1)11-7-3-5-9-6-7;1-2-4-5-3-1/h1-2,4,7H,3,5-6H2;5H,1-4H2.
What are the key properties of pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene?
pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene has a molecular weight of 273.49 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene is sourced from PubChem (CID 142599505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).