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

C13H19NO3S — CID 81103611

IUPAC4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-3-5-12(6-4-11)18(16,17)14-9-7-13(2,15)8-10-14/h3-6,15H,7-10H2,1-2H3
InChIKeyCRJSYAIWUOADLG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds2

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

4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol (PubChem CID 81103611) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
PubChem CID81103611
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-3-5-12(6-4-11)18(16,17)14-9-7-13(2,15)8-10-14/h3-6,15H,7-10H2,1-2H3
InChIKeyCRJSYAIWUOADLG-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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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol
CID 107405201
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
3-(4-methylphenyl)sulfonyl-7,8,16,17-tetraoxa-3-azadispiro[5.2.69.26]heptadecane
CID 171355643
1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
CID 107408422
dipropan-2-yl 1-(4-methylphenyl)sulfonylpiperidine-4,4-dicarboxylate
CID 86811230
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
CID 103871349

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol (CID 81103611) is 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is CRJSYAIWUOADLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-3-5-12(6-4-11)18(16,17)14-9-7-13(2,15)8-10-14/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
4-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 4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 81103611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).