1-(4-methylsulfanylphenyl)sulfonylpyrrolidine

C11H15NO2S2 — CID 967574

IUPAC1-(4-methylsulfanylphenyl)sulfonylpyrrolidine
SMILESCSc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C11H15NO2S2/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3
InChIKeyFXPMZFJCHJXLBM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine

1-(4-methylsulfanylphenyl)sulfonylpyrrolidine (PubChem CID 967574) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)sulfonylpyrrolidine
PubChem CID967574
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name1-(4-methylsulfanylphenyl)sulfonylpyrrolidine
SMILESCSc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C11H15NO2S2/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3
InChIKeyFXPMZFJCHJXLBM-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine (CID 967574) is 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine is CSc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine?
The InChIKey is FXPMZFJCHJXLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine?
1-(4-methylsulfanylphenyl)sulfonylpyrrolidine has a molecular weight of 257.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 967574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).