1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine

C12H17NO2S — CID 168515392

IUPAC1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
SMILESCc1ccc(N2CCCC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO2S/c1-10-5-6-11(13-7-3-4-8-13)12(9-10)16(2,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMHDXNGJSYHTFOA-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine

1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine (PubChem CID 168515392) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
PubChem CID168515392
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
SMILESCc1ccc(N2CCCC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO2S/c1-10-5-6-11(13-7-3-4-8-13)12(9-10)16(2,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMHDXNGJSYHTFOA-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine
CID 166005479
1-[2,4-bis(methylsulfonyl)phenyl]-4-methylazepane
CID 56800063
1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
calcium;hydride;5-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 173090379
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
2-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339104
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
1-(2-methylsulfonyl-5-nitrophenyl)pyrrolidine
CID 75486201
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 145473250
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine (CID 168515392) is 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine is Cc1ccc(N2CCCC2)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine?
The InChIKey is MHDXNGJSYHTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-5-6-11(13-7-3-4-8-13)12(9-10)16(2,14)15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine?
1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine has a molecular weight of 239.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 168515392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).