3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one

C11H16N2O4S — CID 64597440

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
SMILESCOCC1CCN(S(=O)(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C11H16N2O4S/c1-17-8-9-3-5-13(7-9)18(15,16)11-6-12-4-2-10(11)14/h2,4,6,9H,3,5,7-8H2,1H3,(H,12,14)
InChIKeyGODVTTLJSRKONW-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.03
Rot. Bonds4

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one

3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one (PubChem CID 64597440) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
PubChem CID64597440
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
SMILESCOCC1CCN(S(=O)(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C11H16N2O4S/c1-17-8-9-3-5-13(7-9)18(15,16)11-6-12-4-2-10(11)14/h2,4,6,9H,3,5,7-8H2,1H3,(H,12,14)
InChIKeyGODVTTLJSRKONW-UHFFFAOYSA-N
XLogP0.03
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
3-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyridin-4-one
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4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
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4-chloro-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
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4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline
CID 64583155
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
3-(4,4-dimethylazepan-1-yl)sulfonyl-1H-pyridin-4-one
CID 65281865
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
CID 64581559
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CID 64568412

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one (CID 64597440) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one is COCC1CCN(S(=O)(=O)c2c[nH]ccc2=O)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one?
The InChIKey is GODVTTLJSRKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-8-9-3-5-13(7-9)18(15,16)11-6-12-4-2-10(11)14/h2,4,6,9H,3,5,7-8H2,1H3,(H,12,14).
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one?
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one has a molecular weight of 272.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one is sourced from PubChem (CID 64597440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).