[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol

C14H22N2O3S — CID 114597620

IUPAC[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(CO)cn2)C1
InChIInChI=1S/C14H22N2O3S/c1-10-6-11(2)12(3)16(8-10)20(18,19)14-5-4-13(9-17)7-15-14/h4-5,7,10-12,17H,6,8-9H2,1-3H3
InChIKeyVWTZWZKVJSRTMA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.63
Rot. Bonds3

About [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol

[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol (PubChem CID 114597620) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
PubChem CID114597620
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(CO)cn2)C1
InChIInChI=1S/C14H22N2O3S/c1-10-6-11(2)12(3)16(8-10)20(18,19)14-5-4-13(9-17)7-15-14/h4-5,7,10-12,17H,6,8-9H2,1-3H3
InChIKeyVWTZWZKVJSRTMA-UHFFFAOYSA-N
XLogP1.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol
CID 104969057
[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 114597646
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 114596495
5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614762
[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 114594596
1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
CID 79187205
4-(2,3,5-trimethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 114593322

Frequently Asked Questions

What is the IUPAC name of [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol?
The IUPAC name of [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol (CID 114597620) is [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol is CC1CC(C)C(C)N(S(=O)(=O)c2ccc(CO)cn2)C1.
What is the InChIKey of [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol?
The InChIKey is VWTZWZKVJSRTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-11(2)12(3)16(8-10)20(18,19)14-5-4-13(9-17)7-15-14/h4-5,7,10-12,17H,6,8-9H2,1-3H3.
What are the key properties of [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol?
[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol has a molecular weight of 298.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol is sourced from PubChem (CID 114597620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).