3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide

C11H17NO2S — CID 66217450

IUPAC3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCc1cc(C2CS(=O)CC(C)N2)c(C)o1
InChIInChI=1S/C11H17NO2S/c1-7-5-15(13)6-11(12-7)10-4-8(2)14-9(10)3/h4,7,11-12H,5-6H2,1-3H3
InChIKeySACFLLVUBHPABA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.68
Rot. Bonds1

About 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide

3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide (PubChem CID 66217450) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide
PubChem CID66217450
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCc1cc(C2CS(=O)CC(C)N2)c(C)o1
InChIInChI=1S/C11H17NO2S/c1-7-5-15(13)6-11(12-7)10-4-8(2)14-9(10)3/h4,7,11-12H,5-6H2,1-3H3
InChIKeySACFLLVUBHPABA-UHFFFAOYSA-N
XLogP1.68
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide 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 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide (CID 66217450) is 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide is Cc1cc(C2CS(=O)CC(C)N2)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide?
The InChIKey is SACFLLVUBHPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-7-5-15(13)6-11(12-7)10-4-8(2)14-9(10)3/h4,7,11-12H,5-6H2,1-3H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide?
3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide has a molecular weight of 227.33 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66217450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).