3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

C11H16N2O3S — CID 51358743

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H16N2O3S/c1-9-4-7-13(8-5-9)17(15,16)10-3-2-6-12-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,14)
InChIKeyAIDNTGDDRMFDDH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.80
Rot. Bonds2

About 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 51358743) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID51358743
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H16N2O3S/c1-9-4-7-13(8-5-9)17(15,16)10-3-2-6-12-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,14)
InChIKeyAIDNTGDDRMFDDH-UHFFFAOYSA-N
XLogP0.80
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 51358743) is 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is CC1CCN(S(=O)(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is AIDNTGDDRMFDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-4-7-13(8-5-9)17(15,16)10-3-2-6-12-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,14).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 256.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 51358743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).