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

C13H19NO3S — CID 135044550

IUPAC(3R,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-NWDGAFQWSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds2

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

(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol (PubChem CID 135044550) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
PubChem CID135044550
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(3R,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-NWDGAFQWSA-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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Related Compounds

(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044668
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472325
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472328
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
(2S,4R)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 165357520
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol (CID 135044550) is (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3R,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 (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is YRTWZBYCRNWXSE-NWDGAFQWSA-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 (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
(3R,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 (3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 135044550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).