[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C15H19NO4S2 — CID 129399758

IUPAC[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCc1cc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c(C)o1
InChIInChI=1S/C15H19NO4S2/c1-10-5-15(11(2)20-10)22(18,19)16-6-13(8-17)14(7-16)12-3-4-21-9-12/h3-5,9,13-14,17H,6-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyWBINREFZPQYMMA-KGLIPLIRSA-N
MW341.45 g/mol
LogP2.35
Rot. Bonds4

About [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 129399758) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID129399758
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC Name[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCc1cc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c(C)o1
InChIInChI=1S/C15H19NO4S2/c1-10-5-15(11(2)20-10)22(18,19)16-6-13(8-17)14(7-16)12-3-4-21-9-12/h3-5,9,13-14,17H,6-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyWBINREFZPQYMMA-KGLIPLIRSA-N
XLogP2.35
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol 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 [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 129399758) is [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is Cc1cc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c(C)o1.
What is the InChIKey of [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is WBINREFZPQYMMA-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-10-5-15(11(2)20-10)22(18,19)16-6-13(8-17)14(7-16)12-3-4-21-9-12/h3-5,9,13-14,17H,6-8H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 341.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129399758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).