3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

C12H17ClN2O3S — CID 64606339

IUPAC3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CCCC(C)N1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-8-4-3-5-9(2)15(8)19(17,18)10-6-11(13)12(16)14-7-10/h6-9H,3-5H2,1-2H3,(H,14,16)
InChIKeyOEUSHLNNBWXOQG-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.98
Rot. Bonds2

About 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64606339) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64606339
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CCCC(C)N1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-8-4-3-5-9(2)15(8)19(17,18)10-6-11(13)12(16)14-7-10/h6-9H,3-5H2,1-2H3,(H,14,16)
InChIKeyOEUSHLNNBWXOQG-UHFFFAOYSA-N
XLogP1.98
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43208784
3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64608490
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607507
3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64606726
3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607501
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]propan-2-amine
CID 104969148
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
CID 104969117
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 64608248

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 64606339) is 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is CC1CCCC(C)N1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is OEUSHLNNBWXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8-4-3-5-9(2)15(8)19(17,18)10-6-11(13)12(16)14-7-10/h6-9H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 304.80 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64606339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).