2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine

C12H17NO3S — CID 14355085

IUPAC2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOC1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-9-3-4-12(13)16-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyGDTUFLLMDYHEMF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine

2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 14355085) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID14355085
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOC1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-9-3-4-12(13)16-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyGDTUFLLMDYHEMF-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine (CID 14355085) is 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine is COC1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is GDTUFLLMDYHEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-9-3-4-12(13)16-2/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 255.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 14355085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).