(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol

C13H19NO4S — CID 134859032

IUPAC(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2CO)cc1
InChIInChI=1S/C13H19NO4S/c1-10-2-4-13(5-3-10)19(17,18)14-7-6-12(16)8-11(14)9-15/h2-5,11-12,15-16H,6-9H2,1H3/t11-,12-/m1/s1
InChIKeyAPHDUOYSPNLQQZ-VXGBXAGGSA-N
MW285.37 g/mol
LogP0.50
Rot. Bonds3

About (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol

(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol (PubChem CID 134859032) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
PubChem CID134859032
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2CO)cc1
InChIInChI=1S/C13H19NO4S/c1-10-2-4-13(5-3-10)19(17,18)14-7-6-12(16)8-11(14)9-15/h2-5,11-12,15-16H,6-9H2,1H3/t11-,12-/m1/s1
InChIKeyAPHDUOYSPNLQQZ-VXGBXAGGSA-N
XLogP0.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
CID 11777132
1-(4-methylphenyl)sulfonyl-2-[2-[2-[1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]ethyl]azetidine
CID 165355383
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
(2R)-2-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 15038479
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001414
1-(4-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidin-2-amine
CID 175108840
N-(2-hydroxyethyl)-N'-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286174
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
[2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]methanol
CID 72743565
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol (CID 134859032) is (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2CO)cc1.
What is the InChIKey of (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is APHDUOYSPNLQQZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-2-4-13(5-3-10)19(17,18)14-7-6-12(16)8-11(14)9-15/h2-5,11-12,15-16H,6-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 285.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 134859032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).