3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine

C12H18N2O2S — CID 123777874

IUPAC3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine
SMILESCC1CCNC(C)(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C12H18N2O2S/c1-10-5-7-14-12(2,8-10)17(15,16)11-4-3-6-13-9-11/h3-4,6,9-10,14H,5,7-8H2,1-2H3
InChIKeyTXUIFYIFXWEKSS-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.59
Rot. Bonds2

About 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine

3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine (PubChem CID 123777874) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine
PubChem CID123777874
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine
SMILESCC1CCNC(C)(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C12H18N2O2S/c1-10-5-7-14-12(2,8-10)17(15,16)11-4-3-6-13-9-11/h3-4,6,9-10,14H,5,7-8H2,1-2H3
InChIKeyTXUIFYIFXWEKSS-UHFFFAOYSA-N
XLogP1.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60548741
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
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N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 141273254
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
calcium bis(pyridine-3-sulfonate)
CID 87775779
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide
CID 130233502
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719570

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine?
The IUPAC name of 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine (CID 123777874) is 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine?
The canonical SMILES for 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine is CC1CCNC(C)(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine?
The InChIKey is TXUIFYIFXWEKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-5-7-14-12(2,8-10)17(15,16)11-4-3-6-13-9-11/h3-4,6,9-10,14H,5,7-8H2,1-2H3.
What are the key properties of 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine?
3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine has a molecular weight of 254.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine is sourced from PubChem (CID 123777874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).