10-ethylphenothiazine 5,5-dioxide

C14H13NO2S — CID 621197

IUPAC10-ethylphenothiazine 5,5-dioxide
SMILESCCN1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C14H13NO2S/c1-2-15-11-7-3-5-9-13(11)18(16,17)14-10-6-4-8-12(14)15/h3-10H,2H2,1H3
InChIKeySQIYZBNATIFUHF-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.99
Rot. Bonds1

About 10-ethylphenothiazine 5,5-dioxide

10-ethylphenothiazine 5,5-dioxide (PubChem CID 621197) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 10-ethylphenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-ethylphenothiazine 5,5-dioxide
PubChem CID621197
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name10-ethylphenothiazine 5,5-dioxide
SMILESCCN1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C14H13NO2S/c1-2-15-11-7-3-5-9-13(11)18(16,17)14-10-6-4-8-12(14)15/h3-10H,2H2,1H3
InChIKeySQIYZBNATIFUHF-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-ethylphenothiazine 5,5-dioxide?
The IUPAC name of 10-ethylphenothiazine 5,5-dioxide (CID 621197) is 10-ethylphenothiazine 5,5-dioxide.
What is the SMILES notation for 10-ethylphenothiazine 5,5-dioxide?
The canonical SMILES for 10-ethylphenothiazine 5,5-dioxide is CCN1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of 10-ethylphenothiazine 5,5-dioxide?
The InChIKey is SQIYZBNATIFUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-2-15-11-7-3-5-9-13(11)18(16,17)14-10-6-4-8-12(14)15/h3-10H,2H2,1H3.
What are the key properties of 10-ethylphenothiazine 5,5-dioxide?
10-ethylphenothiazine 5,5-dioxide has a molecular weight of 259.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylphenothiazine 5,5-dioxide is sourced from PubChem (CID 621197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).