4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide

C11H13NO2S — CID 102192227

IUPAC4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide
SMILESC=CC1CN(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C11H13NO2S/c1-3-9-8-12(2)15(13,14)11-7-5-4-6-10(9)11/h3-7,9H,1,8H2,2H3
InChIKeyBNDJNYFWDAXQIX-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.59
Rot. Bonds1

About 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide

4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 102192227) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID102192227
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide
SMILESC=CC1CN(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C11H13NO2S/c1-3-9-8-12(2)15(13,14)11-7-5-4-6-10(9)11/h3-7,9H,1,8H2,2H3
InChIKeyBNDJNYFWDAXQIX-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide (CID 102192227) is 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide is C=CC1CN(C)S(=O)(=O)c2ccccc21.
What is the InChIKey of 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is BNDJNYFWDAXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-9-8-12(2)15(13,14)11-7-5-4-6-10(9)11/h3-7,9H,1,8H2,2H3.
What are the key properties of 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide?
4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 223.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 102192227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).