(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol

C13H19NO3S — CID 135044668

IUPAC(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](O)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-11(2)7-12(15)9-14/h3-6,11-12,15H,7-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyYRTWZBYCRNWXSE-RYUDHWBXSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds2

About (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol

(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol (PubChem CID 135044668) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
PubChem CID135044668
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](O)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-11(2)7-12(15)9-14/h3-6,11-12,15H,7-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyYRTWZBYCRNWXSE-RYUDHWBXSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol (CID 135044668) is (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol is Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](O)C2)cc1.
What is the InChIKey of (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is YRTWZBYCRNWXSE-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-11(2)7-12(15)9-14/h3-6,11-12,15H,7-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 269.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 135044668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).