spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide

C11H13NO4S — CID 15427821

IUPACspiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide
SMILESO=S1(=O)NCC2(OCCCO2)c2ccccc21
InChIInChI=1S/C11H13NO4S/c13-17(14)10-5-2-1-4-9(10)11(8-12-17)15-6-3-7-16-11/h1-2,4-5,12H,3,6-8H2
InChIKeyZZJCRUQKCSPSHX-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.57
Rot. Bonds

About spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide

spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide (PubChem CID 15427821) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide.

Molecular Properties

Compound Namespiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide
PubChem CID15427821
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Namespiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide
SMILESO=S1(=O)NCC2(OCCCO2)c2ccccc21
InChIInChI=1S/C11H13NO4S/c13-17(14)10-5-2-1-4-9(10)11(8-12-17)15-6-3-7-16-11/h1-2,4-5,12H,3,6-8H2
InChIKeyZZJCRUQKCSPSHX-UHFFFAOYSA-N
XLogP0.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide 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 spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide?
The IUPAC name of spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide (CID 15427821) is spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide.
What is the SMILES notation for spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide?
The canonical SMILES for spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide is O=S1(=O)NCC2(OCCCO2)c2ccccc21.
What is the InChIKey of spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide?
The InChIKey is ZZJCRUQKCSPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c13-17(14)10-5-2-1-4-9(10)11(8-12-17)15-6-3-7-16-11/h1-2,4-5,12H,3,6-8H2.
What are the key properties of spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide?
spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide has a molecular weight of 255.29 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide is sourced from PubChem (CID 15427821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).