5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

C12H18N2O4S — CID 107394155

IUPAC5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCOC1(C)CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O4S/c1-12(18-2)6-3-7-14(9-12)19(16,17)10-4-5-11(15)13-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyYCKJHZHGWPSGSM-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.56
Rot. Bonds3

About 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 107394155) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID107394155
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCOC1(C)CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O4S/c1-12(18-2)6-3-7-14(9-12)19(16,17)10-4-5-11(15)13-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyYCKJHZHGWPSGSM-UHFFFAOYSA-N
XLogP0.56
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 43629049
5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629050
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629223
5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629298
5-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 43629334
5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 43629478
5-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 54989924
5-(3-propoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 61171714
5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 61959072
5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63978843
5-(3,3-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64066832
5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 102745086

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 107394155) is 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is COC1(C)CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is YCKJHZHGWPSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-12(18-2)6-3-7-14(9-12)19(16,17)10-4-5-11(15)13-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15).
What are the key properties of 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 286.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 107394155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).