1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine

C13H19NO3S — CID 849957

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C
InChIInChI=1S/C13H19NO3S/c1-10-9-13(11(2)8-12(10)17-3)18(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyFGFJFBKHUCKZSK-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.10
Rot. Bonds3

About 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine (PubChem CID 849957) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
PubChem CID849957
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C
InChIInChI=1S/C13H19NO3S/c1-10-9-13(11(2)8-12(10)17-3)18(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyFGFJFBKHUCKZSK-UHFFFAOYSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine 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-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine (CID 849957) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine is COc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
The InChIKey is FGFJFBKHUCKZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-9-13(11(2)8-12(10)17-3)18(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine has a molecular weight of 269.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 849957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).