2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol

C13H19NO3S — CID 3143025

IUPAC2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)CC2C)cc1
InChIInChI=1S/C13H19NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(15)9-11(14)2/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyNOKADRRUIYQFDZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol

2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol (PubChem CID 3143025) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
PubChem CID3143025
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)CC2C)cc1
InChIInChI=1S/C13H19NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(15)9-11(14)2/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyNOKADRRUIYQFDZ-UHFFFAOYSA-N
XLogP1.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol (CID 3143025) is 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CCC(O)CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is NOKADRRUIYQFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(15)9-11(14)2/h3-6,11-12,15H,7-9H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 269.37 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 3143025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).