2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide

C11H12N2O3S — CID 131853874

IUPAC2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESC=CCOC1=Nc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C11H12N2O3S/c1-3-8-16-11-12-9-6-4-5-7-10(9)17(14,15)13(11)2/h3-7H,1,8H2,2H3
InChIKeyXEPPQQMHKMTVNY-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.51
Rot. Bonds2

About 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide

2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 131853874) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID131853874
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESC=CCOC1=Nc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C11H12N2O3S/c1-3-8-16-11-12-9-6-4-5-7-10(9)17(14,15)13(11)2/h3-7H,1,8H2,2H3
InChIKeyXEPPQQMHKMTVNY-UHFFFAOYSA-N
XLogP1.51
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 131853874) is 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide is C=CCOC1=Nc2ccccc2S(=O)(=O)N1C.
What is the InChIKey of 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is XEPPQQMHKMTVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-8-16-11-12-9-6-4-5-7-10(9)17(14,15)13(11)2/h3-7H,1,8H2,2H3.
What are the key properties of 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide?
2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 252.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enoxy-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 131853874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).