5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

C12H18N2O4S — CID 63978843

IUPAC5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCOCC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O4S/c1-18-9-10-4-6-14(7-5-10)19(16,17)11-2-3-12(15)13-8-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
InChIKeyDZFXYSFIOYRIAS-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.42
Rot. Bonds4

About 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 63978843) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID63978843
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCOCC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O4S/c1-18-9-10-4-6-14(7-5-10)19(16,17)11-2-3-12(15)13-8-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
InChIKeyDZFXYSFIOYRIAS-UHFFFAOYSA-N
XLogP0.42
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 63978843) is 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is COCC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is DZFXYSFIOYRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-9-10-4-6-14(7-5-10)19(16,17)11-2-3-12(15)13-8-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15).
What are the key properties of 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 286.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 63978843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).