6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one

C7H8N2O3S — CID 105452693

IUPAC6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one
SMILESO=c1ncc2c([nH]1)CCS(=O)(=O)C2
InChIInChI=1S/C7H8N2O3S/c10-7-8-3-5-4-13(11,12)2-1-6(5)9-7/h3H,1-2,4H2,(H,8,9,10)
InChIKeyWELWAPQXQCZDMT-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.76
Rot. Bonds

About 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one

6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one (PubChem CID 105452693) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one
PubChem CID105452693
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one
SMILESO=c1ncc2c([nH]1)CCS(=O)(=O)C2
InChIInChI=1S/C7H8N2O3S/c10-7-8-3-5-4-13(11,12)2-1-6(5)9-7/h3H,1-2,4H2,(H,8,9,10)
InChIKeyWELWAPQXQCZDMT-UHFFFAOYSA-N
XLogP-0.76
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
The IUPAC name of 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one (CID 105452693) is 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
The canonical SMILES for 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one is O=c1ncc2c([nH]1)CCS(=O)(=O)C2.
What is the InChIKey of 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
The InChIKey is WELWAPQXQCZDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c10-7-8-3-5-4-13(11,12)2-1-6(5)9-7/h3H,1-2,4H2,(H,8,9,10).
What are the key properties of 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one?
6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one has a molecular weight of 200.22 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 105452693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).