2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine

C12H17ClN2O2S — CID 55040373

IUPAC2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1C
InChIInChI=1S/C12H17ClN2O2S/c1-9-4-3-7-15(10(9)2)18(16,17)11-5-6-12(13)14-8-11/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyDTGDZUUPRGGKAW-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine

2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine (PubChem CID 55040373) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
PubChem CID55040373
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1C
InChIInChI=1S/C12H17ClN2O2S/c1-9-4-3-7-15(10(9)2)18(16,17)11-5-6-12(13)14-8-11/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyDTGDZUUPRGGKAW-UHFFFAOYSA-N
XLogP2.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
[(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305811
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238157
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62147056
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine
CID 84599573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine (CID 55040373) is 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine is CC1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1C.
What is the InChIKey of 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is DTGDZUUPRGGKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-9-4-3-7-15(10(9)2)18(16,17)11-5-6-12(13)14-8-11/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine?
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 288.80 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 55040373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).