[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol

C13H20N2O3S — CID 104969057

IUPAC[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C13H20N2O3S/c1-10-4-3-5-11(2)15(10)19(17,18)13-7-6-12(9-16)8-14-13/h6-8,10-11,16H,3-5,9H2,1-2H3/t10-,11+
InChIKeyQOKCRBCUKVKJNN-PHIMTYICSA-N
MW284.38 g/mol
LogP1.53
Rot. Bonds3

About [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol

[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol (PubChem CID 104969057) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol
PubChem CID104969057
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C13H20N2O3S/c1-10-4-3-5-11(2)15(10)19(17,18)13-7-6-12(9-16)8-14-13/h6-8,10-11,16H,3-5,9H2,1-2H3/t10-,11+
InChIKeyQOKCRBCUKVKJNN-PHIMTYICSA-N
XLogP1.53
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
CID 114597620
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
CID 104969055
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanethioamide
CID 104967500
5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
CID 54857460
5-(hydroxymethyl)-N-(2-methyloxolan-3-yl)pyridine-2-sulfonamide
CID 114135348
N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106001152
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine
CID 104967307
5-(2,6-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62149622
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586

Frequently Asked Questions

What is the IUPAC name of [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol?
The IUPAC name of [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol (CID 104969057) is [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol?
The canonical SMILES for [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(CO)cn1.
What is the InChIKey of [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol?
The InChIKey is QOKCRBCUKVKJNN-PHIMTYICSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-4-3-5-11(2)15(10)19(17,18)13-7-6-12(9-16)8-14-13/h6-8,10-11,16H,3-5,9H2,1-2H3/t10-,11+.
What are the key properties of [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol?
[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol has a molecular weight of 284.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol is sourced from PubChem (CID 104969057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).