1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide

C13H19N3O2S — CID 24734851

IUPAC1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NC1(CCN(C)CC1)N2
InChIInChI=1S/C13H19N3O2S/c1-10-3-4-11-12(9-10)19(17,18)15-13(14-11)5-7-16(2)8-6-13/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyKURLQLPPASUBCC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.12
Rot. Bonds

About 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide

1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide (PubChem CID 24734851) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide.

Molecular Properties

Compound Name1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide
PubChem CID24734851
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NC1(CCN(C)CC1)N2
InChIInChI=1S/C13H19N3O2S/c1-10-3-4-11-12(9-10)19(17,18)15-13(14-11)5-7-16(2)8-6-13/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyKURLQLPPASUBCC-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 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 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
The IUPAC name of 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide (CID 24734851) is 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide.
What is the SMILES notation for 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
The canonical SMILES for 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide is Cc1ccc2c(c1)S(=O)(=O)NC1(CCN(C)CC1)N2.
What is the InChIKey of 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
The InChIKey is KURLQLPPASUBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10-3-4-11-12(9-10)19(17,18)15-13(14-11)5-7-16(2)8-6-13/h3-4,9,14-15H,5-8H2,1-2H3.
What are the key properties of 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide has a molecular weight of 281.38 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',7-dimethylspiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide is sourced from PubChem (CID 24734851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).