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

C11H16N2O3S — CID 43629050

IUPAC5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H16N2O3S/c1-9-3-2-6-13(8-9)17(15,16)10-4-5-11(14)12-7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,12,14)
InChIKeySXMOMUPSTZRAQC-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.80
Rot. Bonds2

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

5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 43629050) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID43629050
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H16N2O3S/c1-9-3-2-6-13(8-9)17(15,16)10-4-5-11(14)12-7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,12,14)
InChIKeySXMOMUPSTZRAQC-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 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 43629050) is 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is CC1CCCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is SXMOMUPSTZRAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-3-2-6-13(8-9)17(15,16)10-4-5-11(14)12-7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,12,14).
What are the key properties of 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(3-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 5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).