4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H14N2O3S — CID 16732618

IUPAC4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(OC)ccc21
InChIInChI=1S/C10H14N2O3S/c1-3-12-7-11-16(13,14)10-6-8(15-2)4-5-9(10)12/h4-6,11H,3,7H2,1-2H3
InChIKeyJSXOLUYPSRUBHR-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.77
Rot. Bonds2

About 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732618) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732618
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(OC)ccc21
InChIInChI=1S/C10H14N2O3S/c1-3-12-7-11-16(13,14)10-6-8(15-2)4-5-9(10)12/h4-6,11H,3,7H2,1-2H3
InChIKeyJSXOLUYPSRUBHR-UHFFFAOYSA-N
XLogP0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732618) is 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCN1CNS(=O)(=O)c2cc(OC)ccc21.
What is the InChIKey of 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is JSXOLUYPSRUBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-12-7-11-16(13,14)10-6-8(15-2)4-5-9(10)12/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 242.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).