7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C10H13NO2S — CID 84621580

IUPAC7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)CCN2
InChIInChI=1S/C10H13NO2S/c1-2-8-3-4-9-10(7-8)14(12,13)6-5-11-9/h3-4,7,11H,2,5-6H2,1H3
InChIKeyVPMYCEDLKQNQIA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.45
Rot. Bonds1

About 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84621580) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84621580
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)CCN2
InChIInChI=1S/C10H13NO2S/c1-2-8-3-4-9-10(7-8)14(12,13)6-5-11-9/h3-4,7,11H,2,5-6H2,1H3
InChIKeyVPMYCEDLKQNQIA-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84621580) is 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is CCc1ccc2c(c1)S(=O)(=O)CCN2.
What is the InChIKey of 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is VPMYCEDLKQNQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-8-3-4-9-10(7-8)14(12,13)6-5-11-9/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84621580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).