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

C12H14N4O3S2 — CID 168717810

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1sc2ncnc(N3CC(S(N)(=O)=O)CC3=O)c2c1C
InChIInChI=1S/C12H14N4O3S2/c1-6-7(2)20-12-10(6)11(14-5-15-12)16-4-8(3-9(16)17)21(13,18)19/h5,8H,3-4H2,1-2H3,(H2,13,18,19)
InChIKeyZLYBQAPADPUMTA-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.70
Rot. Bonds2

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

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717810) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717810
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1sc2ncnc(N3CC(S(N)(=O)=O)CC3=O)c2c1C
InChIInChI=1S/C12H14N4O3S2/c1-6-7(2)20-12-10(6)11(14-5-15-12)16-4-8(3-9(16)17)21(13,18)19/h5,8H,3-4H2,1-2H3,(H2,13,18,19)
InChIKeyZLYBQAPADPUMTA-UHFFFAOYSA-N
XLogP0.70
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717810) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide is Cc1sc2ncnc(N3CC(S(N)(=O)=O)CC3=O)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is ZLYBQAPADPUMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-6-7(2)20-12-10(6)11(14-5-15-12)16-4-8(3-9(16)17)21(13,18)19/h5,8H,3-4H2,1-2H3,(H2,13,18,19).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 326.40 g/mol, XLogP of 0.70, 2 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-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).