[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C13H16N4O3S2 — CID 168681565

IUPAC[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1sc2ncnc(N3CC(CS(N)(=O)=O)CC3=O)c2c1C
InChIInChI=1S/C13H16N4O3S2/c1-7-8(2)21-13-11(7)12(15-6-16-13)17-4-9(3-10(17)18)5-22(14,19)20/h6,9H,3-5H2,1-2H3,(H2,14,19,20)
InChIKeyDMZSAVCOKPETSX-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.95
Rot. Bonds3

About [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681565) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681565
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1sc2ncnc(N3CC(CS(N)(=O)=O)CC3=O)c2c1C
InChIInChI=1S/C13H16N4O3S2/c1-7-8(2)21-13-11(7)12(15-6-16-13)17-4-9(3-10(17)18)5-22(14,19)20/h6,9H,3-5H2,1-2H3,(H2,14,19,20)
InChIKeyDMZSAVCOKPETSX-UHFFFAOYSA-N
XLogP0.95
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717810
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696905
[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681735
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682856
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681619
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681419

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681565) is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1sc2ncnc(N3CC(CS(N)(=O)=O)CC3=O)c2c1C.
What is the InChIKey of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DMZSAVCOKPETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-7-8(2)21-13-11(7)12(15-6-16-13)17-4-9(3-10(17)18)5-22(14,19)20/h6,9H,3-5H2,1-2H3,(H2,14,19,20).
What are the key properties of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 340.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).