3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine

C16H19NO3S — CID 110423868

IUPAC3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1cccc(CS(=O)(=O)N2CCC(c3ccco3)C2)c1
InChIInChI=1S/C16H19NO3S/c1-13-4-2-5-14(10-13)12-21(18,19)17-8-7-15(11-17)16-6-3-9-20-16/h2-6,9-10,15H,7-8,11-12H2,1H3
InChIKeyFBHYQIRBPKWCDW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.91
Rot. Bonds4

About 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine

3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine (PubChem CID 110423868) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
PubChem CID110423868
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1cccc(CS(=O)(=O)N2CCC(c3ccco3)C2)c1
InChIInChI=1S/C16H19NO3S/c1-13-4-2-5-14(10-13)12-21(18,19)17-8-7-15(11-17)16-6-3-9-20-16/h2-6,9-10,15H,7-8,11-12H2,1H3
InChIKeyFBHYQIRBPKWCDW-UHFFFAOYSA-N
XLogP2.91
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]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 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine (CID 110423868) is 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine is Cc1cccc(CS(=O)(=O)N2CCC(c3ccco3)C2)c1.
What is the InChIKey of 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The InChIKey is FBHYQIRBPKWCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-4-2-5-14(10-13)12-21(18,19)17-8-7-15(11-17)16-6-3-9-20-16/h2-6,9-10,15H,7-8,11-12H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine has a molecular weight of 305.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 110423868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).