2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine

C12H17NO2S — CID 110728239

IUPAC2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
SMILESCc1cccc(S(=O)(=O)N2CCCC2C)c1
InChIInChI=1S/C12H17NO2S/c1-10-5-3-7-12(9-10)16(14,15)13-8-4-6-11(13)2/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyPDFMVQMLUJSAIO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine

2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine (PubChem CID 110728239) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
PubChem CID110728239
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
SMILESCc1cccc(S(=O)(=O)N2CCCC2C)c1
InChIInChI=1S/C12H17NO2S/c1-10-5-3-7-12(9-10)16(14,15)13-8-4-6-11(13)2/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyPDFMVQMLUJSAIO-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
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2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
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1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
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1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
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3-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]prop-2-enoic acid
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2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
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[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
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(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine (CID 110728239) is 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine is Cc1cccc(S(=O)(=O)N2CCCC2C)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The InChIKey is PDFMVQMLUJSAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-5-3-7-12(9-10)16(14,15)13-8-4-6-11(13)2/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine?
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine has a molecular weight of 239.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 110728239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).