1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine

C15H17NOS — CID 168513833

IUPAC1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine
SMILESc1coc(CSc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C15H17NOS/c1-2-10-16(9-1)13-5-7-15(8-6-13)18-12-14-4-3-11-17-14/h3-8,11H,1-2,9-10,12H2
InChIKeyBFTBMHVQCCPPDY-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.17
Rot. Bonds4

About 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine

1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine (PubChem CID 168513833) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine
PubChem CID168513833
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine
SMILESc1coc(CSc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C15H17NOS/c1-2-10-16(9-1)13-5-7-15(8-6-13)18-12-14-4-3-11-17-14/h3-8,11H,1-2,9-10,12H2
InChIKeyBFTBMHVQCCPPDY-UHFFFAOYSA-N
XLogP4.17
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine 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 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine (CID 168513833) is 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine is c1coc(CSc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine?
The InChIKey is BFTBMHVQCCPPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-10-16(9-1)13-5-7-15(8-6-13)18-12-14-4-3-11-17-14/h3-8,11H,1-2,9-10,12H2.
What are the key properties of 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine?
1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine has a molecular weight of 259.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine is sourced from PubChem (CID 168513833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).