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

C12H18N2O3S — CID 43629223

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O3S/c1-9-5-10(2)8-14(7-9)18(16,17)11-3-4-12(15)13-6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,13,15)
InChIKeyYGYGATDCFCBYLS-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.04
Rot. Bonds2

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

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 43629223) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID43629223
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H18N2O3S/c1-9-5-10(2)8-14(7-9)18(16,17)11-3-4-12(15)13-6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,13,15)
InChIKeyYGYGATDCFCBYLS-UHFFFAOYSA-N
XLogP1.04
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 43629223) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is CC1CC(C)CN(S(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is YGYGATDCFCBYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-5-10(2)8-14(7-9)18(16,17)11-3-4-12(15)13-6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,13,15).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 270.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).