3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H12N2O2S — CID 5052482

IUPAC3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C10H12N2O2S/c1-2-5-10-11-8-6-3-4-7-9(8)15(13,14)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKeyVFLXOZAMJHVXGC-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.00
Rot. Bonds2

About 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 5052482) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID5052482
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C10H12N2O2S/c1-2-5-10-11-8-6-3-4-7-9(8)15(13,14)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKeyVFLXOZAMJHVXGC-UHFFFAOYSA-N
XLogP2.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 5052482) is 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCCC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is VFLXOZAMJHVXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-5-10-11-8-6-3-4-7-9(8)15(13,14)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12).
What are the key properties of 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 224.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 5052482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).