7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

C8H10ClN3O2S — CID 25147766

IUPAC7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(Cl)cnc21
InChIInChI=1S/C8H10ClN3O2S/c1-2-12-5-11-15(13,14)7-3-6(9)4-10-8(7)12/h3-4,11H,2,5H2,1H3
InChIKeyIZQBALPMHRIRHP-UHFFFAOYSA-N
MW247.71 g/mol
LogP0.81
Rot. Bonds1

About 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 25147766) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID25147766
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(Cl)cnc21
InChIInChI=1S/C8H10ClN3O2S/c1-2-12-5-11-15(13,14)7-3-6(9)4-10-8(7)12/h3-4,11H,2,5H2,1H3
InChIKeyIZQBALPMHRIRHP-UHFFFAOYSA-N
XLogP0.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 25147766) is 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CCN1CNS(=O)(=O)c2cc(Cl)cnc21.
What is the InChIKey of 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is IZQBALPMHRIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c1-2-12-5-11-15(13,14)7-3-6(9)4-10-8(7)12/h3-4,11H,2,5H2,1H3.
What are the key properties of 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 247.71 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 25147766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).