7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

C7H8ClN3O2S — CID 46233674

IUPAC7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1Nc2ncc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C7H8ClN3O2S/c1-4-10-7-6(14(12,13)11-4)2-5(8)3-9-7/h2-4,11H,1H3,(H,9,10)
InChIKeyJDUOVBWJFUJHPO-UHFFFAOYSA-N
MW233.68 g/mol
LogP0.78
Rot. Bonds

About 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 46233674) has the molecular formula C7H8ClN3O2S and a molecular weight of 233.68 g/mol. Its IUPAC name is 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID46233674
Molecular FormulaC7H8ClN3O2S
Molecular Weight233.68 g/mol
Exact Mass233.00
IUPAC Name7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1Nc2ncc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C7H8ClN3O2S/c1-4-10-7-6(14(12,13)11-4)2-5(8)3-9-7/h2-4,11H,1H3,(H,9,10)
InChIKeyJDUOVBWJFUJHPO-UHFFFAOYSA-N
XLogP0.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 46233674) is 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CC1Nc2ncc(Cl)cc2S(=O)(=O)N1.
What is the InChIKey of 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is JDUOVBWJFUJHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2S/c1-4-10-7-6(14(12,13)11-4)2-5(8)3-9-7/h2-4,11H,1H3,(H,9,10).
What are the key properties of 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 233.68 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 46233674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).