4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol

C15H23NO3S — CID 103896846

IUPAC4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C)C(O)C2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-10-7-12(3)15(13(4)8-10)20(18,19)16-6-5-11(2)14(17)9-16/h7-8,11,14,17H,5-6,9H2,1-4H3
InChIKeyPZBSRGQCFKALSB-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.00
Rot. Bonds2

About 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol

4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol (PubChem CID 103896846) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
PubChem CID103896846
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C)C(O)C2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-10-7-12(3)15(13(4)8-10)20(18,19)16-6-5-11(2)14(17)9-16/h7-8,11,14,17H,5-6,9H2,1-4H3
InChIKeyPZBSRGQCFKALSB-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(Mesitylsulfonyl)piperazin-1-yl)ethanol
CID 799299
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
CID 146628071
1-(Mesitylsulfonyl)piperidine-4-carboxylic acid
CID 2770159
"N,2,4-trimethyl-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-benzenesulfonamide"
CID 91914975
2-Methyl-1-[(4-methylphenyl)sulfonyl]-4-piperidinol
CID 3143025
4-(Mesitylsulfonyl)morpholine
CID 767626
Tasin-30
CID 118308351
2-{4-[(2,4,6-Triisopropylphenyl)sulfonyl]-1-piperazinyl}ethanol
CID 1307133
2,6-Dimethyl-4-((2,4,6-triisopropylphenyl)sulfonyl)morpholine
CID 4293861
(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 92297278
(1-Tosylpiperidin-3-yl)methanol
CID 3318640
(1-Tosylpiperidin-2-yl)methanol
CID 3319699

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol (CID 103896846) is 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol is Cc1cc(C)c(S(=O)(=O)N2CCC(C)C(O)C2)c(C)c1.
What is the InChIKey of 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is PZBSRGQCFKALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-7-12(3)15(13(4)8-10)20(18,19)16-6-5-11(2)14(17)9-16/h7-8,11,14,17H,5-6,9H2,1-4H3.
What are the key properties of 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol?
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 297.42 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 103896846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).