(2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H15NO4S — CID 71933485

IUPAC(2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)o1
InChIInChI=1S/C11H15NO4S/c1-8-7-10(9(2)16-8)11(13)12-3-5-17(14,15)6-4-12/h7H,3-6H2,1-2H3
InChIKeyVUVBVPAGLQTOSN-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.77
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 71933485) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID71933485
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)o1
InChIInChI=1S/C11H15NO4S/c1-8-7-10(9(2)16-8)11(13)12-3-5-17(14,15)6-4-12/h7H,3-6H2,1-2H3
InChIKeyVUVBVPAGLQTOSN-UHFFFAOYSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone 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 (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 71933485) is (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is VUVBVPAGLQTOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8-7-10(9(2)16-8)11(13)12-3-5-17(14,15)6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 257.31 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 71933485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).