[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H14N4O3S — CID 168681706

IUPAC[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cnc(N2CC(CS(N)(=O)=O)CC2=O)nc1
InChIInChI=1S/C10H14N4O3S/c1-7-3-12-10(13-4-7)14-5-8(2-9(14)15)6-18(11,16)17/h3-4,8H,2,5-6H2,1H3,(H2,11,16,17)
InChIKeyYGJXSPUNCNYBJG-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.57
Rot. Bonds3

About [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681706) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681706
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cnc(N2CC(CS(N)(=O)=O)CC2=O)nc1
InChIInChI=1S/C10H14N4O3S/c1-7-3-12-10(13-4-7)14-5-8(2-9(14)15)6-18(11,16)17/h3-4,8H,2,5-6H2,1H3,(H2,11,16,17)
InChIKeyYGJXSPUNCNYBJG-UHFFFAOYSA-N
XLogP-0.57
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 168680845
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681619
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681735
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682216

Frequently Asked Questions

What is the IUPAC name of [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681706) is [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1cnc(N2CC(CS(N)(=O)=O)CC2=O)nc1.
What is the InChIKey of [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is YGJXSPUNCNYBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-7-3-12-10(13-4-7)14-5-8(2-9(14)15)6-18(11,16)17/h3-4,8H,2,5-6H2,1H3,(H2,11,16,17).
What are the key properties of [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).