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

C12H17NO3S — CID 14518091

IUPAC1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C12H17NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-8-6-11(14)7-9-13/h2-5,11,14H,6-9H2,1H3
InChIKeyYZUGYBUVPMOLGT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.14
Rot. Bonds2

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

1-(4-methylphenyl)sulfonylpiperidin-4-ol (PubChem CID 14518091) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpiperidin-4-ol
PubChem CID14518091
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C12H17NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-8-6-11(14)7-9-13/h2-5,11,14H,6-9H2,1H3
InChIKeyYZUGYBUVPMOLGT-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonylpiperidin-4-ol (CID 14518091) is 1-(4-methylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is YZUGYBUVPMOLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-8-6-11(14)7-9-13/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpiperidin-4-ol?
1-(4-methylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 255.34 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 14518091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).