7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one

C11H15N3O2S — CID 82375666

IUPAC7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one
SMILESCN1c2coc(N)c2NC(=O)C12CCSCC2
InChIInChI=1S/C11H15N3O2S/c1-14-7-6-16-9(12)8(7)13-10(15)11(14)2-4-17-5-3-11/h6H,2-5,12H2,1H3,(H,13,15)
InChIKeyCLPSHLYIJJFPIY-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.52
Rot. Bonds

About 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one

7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one (PubChem CID 82375666) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one.

Molecular Properties

Compound Name7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one
PubChem CID82375666
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one
SMILESCN1c2coc(N)c2NC(=O)C12CCSCC2
InChIInChI=1S/C11H15N3O2S/c1-14-7-6-16-9(12)8(7)13-10(15)11(14)2-4-17-5-3-11/h6H,2-5,12H2,1H3,(H,13,15)
InChIKeyCLPSHLYIJJFPIY-UHFFFAOYSA-N
XLogP1.52
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one 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 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one?
The IUPAC name of 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one (CID 82375666) is 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one.
What is the SMILES notation for 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one?
The canonical SMILES for 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one is CN1c2coc(N)c2NC(=O)C12CCSCC2.
What is the InChIKey of 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one?
The InChIKey is CLPSHLYIJJFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14-7-6-16-9(12)8(7)13-10(15)11(14)2-4-17-5-3-11/h6H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one?
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one has a molecular weight of 253.33 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-thiane]-2-one is sourced from PubChem (CID 82375666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).