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

C7H8ClN3O2S — CID 44589242

IUPAC7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2cc(Cl)cnc21
InChIInChI=1S/C7H8ClN3O2S/c1-11-4-10-14(12,13)6-2-5(8)3-9-7(6)11/h2-3,10H,4H2,1H3
InChIKeyMJGSENCDWCPGNA-UHFFFAOYSA-N
MW233.68 g/mol
LogP0.42
Rot. Bonds

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

7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 44589242) has the molecular formula C7H8ClN3O2S and a molecular weight of 233.68 g/mol. Its IUPAC name is 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID44589242
Molecular FormulaC7H8ClN3O2S
Molecular Weight233.68 g/mol
Exact Mass233.00
IUPAC Name7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2cc(Cl)cnc21
InChIInChI=1S/C7H8ClN3O2S/c1-11-4-10-14(12,13)6-2-5(8)3-9-7(6)11/h2-3,10H,4H2,1H3
InChIKeyMJGSENCDWCPGNA-UHFFFAOYSA-N
XLogP0.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 44589242) is 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CN1CNS(=O)(=O)c2cc(Cl)cnc21.
What is the InChIKey of 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is MJGSENCDWCPGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2S/c1-11-4-10-14(12,13)6-2-5(8)3-9-7(6)11/h2-3,10H,4H2,1H3.
What are the key properties of 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 233.68 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 44589242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).