3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol

C12H17NO3S — CID 11777132

IUPAC3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(C)C2O)cc1
InChIInChI=1S/C12H17NO3S/c1-9-3-5-11(6-4-9)17(15,16)13-8-7-10(2)12(13)14/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyDBBMREQOXVEIPZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.34
Rot. Bonds2

About 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol

3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol (PubChem CID 11777132) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
PubChem CID11777132
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(C)C2O)cc1
InChIInChI=1S/C12H17NO3S/c1-9-3-5-11(6-4-9)17(15,16)13-8-7-10(2)12(13)14/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyDBBMREQOXVEIPZ-UHFFFAOYSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol?
The IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol (CID 11777132) is 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol is Cc1ccc(S(=O)(=O)N2CCC(C)C2O)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol?
The InChIKey is DBBMREQOXVEIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-3-5-11(6-4-9)17(15,16)13-8-7-10(2)12(13)14/h3-6,10,12,14H,7-8H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol?
3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol has a molecular weight of 255.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol is sourced from PubChem (CID 11777132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).