(3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine

C11H12N2O3S — CID 7343145

IUPAC(3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine
SMILESO=S1(=O)C[C@@H]2N=C(Nc3ccccc3)O[C@@H]2C1
InChIInChI=1S/C11H12N2O3S/c14-17(15)6-9-10(7-17)16-11(13-9)12-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10+/m0/s1
InChIKeySARQAAZFBZVUOI-VHSXEESVSA-N
MW252.29 g/mol
LogP0.65
Rot. Bonds1

About (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine

(3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine (PubChem CID 7343145) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine.

Molecular Properties

Compound Name(3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine
PubChem CID7343145
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine
SMILESO=S1(=O)C[C@@H]2N=C(Nc3ccccc3)O[C@@H]2C1
InChIInChI=1S/C11H12N2O3S/c14-17(15)6-9-10(7-17)16-11(13-9)12-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10+/m0/s1
InChIKeySARQAAZFBZVUOI-VHSXEESVSA-N
XLogP0.65
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine?
The IUPAC name of (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine (CID 7343145) is (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine.
What is the SMILES notation for (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine?
The canonical SMILES for (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine is O=S1(=O)C[C@@H]2N=C(Nc3ccccc3)O[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine?
The InChIKey is SARQAAZFBZVUOI-VHSXEESVSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-17(15)6-9-10(7-17)16-11(13-9)12-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10+/m0/s1.
What are the key properties of (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine?
(3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine has a molecular weight of 252.29 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazol-2-amine is sourced from PubChem (CID 7343145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).