1-(2-propan-2-ylphenyl)sulfonylpyrrolidine

C13H19NO2S — CID 20754489

IUPAC1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)c1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H19NO2S/c1-11(2)12-7-3-4-8-13(12)17(15,16)14-9-5-6-10-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyYMKDGUFPJIVYEB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine

1-(2-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 20754489) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID20754489
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)c1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H19NO2S/c1-11(2)12-7-3-4-8-13(12)17(15,16)14-9-5-6-10-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyYMKDGUFPJIVYEB-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine (CID 20754489) is 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine is CC(C)c1ccccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is YMKDGUFPJIVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(2)12-7-3-4-8-13(12)17(15,16)14-9-5-6-10-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine?
1-(2-propan-2-ylphenyl)sulfonylpyrrolidine has a molecular weight of 253.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 20754489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).