[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H14FN3O3S — CID 168681619

IUPAC[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(F)ncc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H14FN3O3S/c1-7-2-10(12)14-4-9(7)15-5-8(3-11(15)16)6-19(13,17)18/h2,4,8H,3,5-6H2,1H3,(H2,13,17,18)
InChIKeyFZQXVQMVYDASNI-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.17
Rot. Bonds3

About [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681619) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681619
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(F)ncc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H14FN3O3S/c1-7-2-10(12)14-4-9(7)15-5-8(3-11(15)16)6-19(13,17)18/h2,4,8H,3,5-6H2,1H3,(H2,13,17,18)
InChIKeyFZQXVQMVYDASNI-UHFFFAOYSA-N
XLogP0.17
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681397
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(4,5-difluoro-2-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682389
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427
[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681682
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
methyl 1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693863
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636
1-(6-bromo-4-methyl-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507917

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681619) is [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1cc(F)ncc1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FZQXVQMVYDASNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c1-7-2-10(12)14-4-9(7)15-5-8(3-11(15)16)6-19(13,17)18/h2,4,8H,3,5-6H2,1H3,(H2,13,17,18).
What are the key properties of [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 287.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).