(3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione

C11H9N3O3S — CID 146192622

IUPAC(3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione
SMILESCc1nc2ccsc2c(=O)n1[C@H]1CC(=O)NC1=O
InChIInChI=1S/C11H9N3O3S/c1-5-12-6-2-3-18-9(6)11(17)14(5)7-4-8(15)13-10(7)16/h2-3,7H,4H2,1H3,(H,13,15,16)/t7-/m0/s1
InChIKeyVOADSBSPJRDUFY-ZETCQYMHSA-N
MW263.28 g/mol
LogP0.35
Rot. Bonds1

About (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione

(3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione (PubChem CID 146192622) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione
PubChem CID146192622
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name(3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione
SMILESCc1nc2ccsc2c(=O)n1[C@H]1CC(=O)NC1=O
InChIInChI=1S/C11H9N3O3S/c1-5-12-6-2-3-18-9(6)11(17)14(5)7-4-8(15)13-10(7)16/h2-3,7H,4H2,1H3,(H,13,15,16)/t7-/m0/s1
InChIKeyVOADSBSPJRDUFY-ZETCQYMHSA-N
XLogP0.35
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione (CID 146192622) is (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione is Cc1nc2ccsc2c(=O)n1[C@H]1CC(=O)NC1=O.
What is the InChIKey of (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione?
The InChIKey is VOADSBSPJRDUFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-5-12-6-2-3-18-9(6)11(17)14(5)7-4-8(15)13-10(7)16/h2-3,7H,4H2,1H3,(H,13,15,16)/t7-/m0/s1.
What are the key properties of (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione?
(3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione has a molecular weight of 263.28 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 146192622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).