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

C7H6ClN3O2S — CID 10633310

IUPAC7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cc(Cl)cnc2N1
InChIInChI=1S/C7H6ClN3O2S/c1-4-10-7-6(14(12,13)11-4)2-5(8)3-9-7/h2-3H,1H3,(H,9,10,11)
InChIKeyLMGTYPWDKNOTCM-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.27
Rot. Bonds

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

7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10633310) has the molecular formula C7H6ClN3O2S and a molecular weight of 231.66 g/mol. Its IUPAC name is 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10633310
Molecular FormulaC7H6ClN3O2S
Molecular Weight231.66 g/mol
Exact Mass230.99
IUPAC Name7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cc(Cl)cnc2N1
InChIInChI=1S/C7H6ClN3O2S/c1-4-10-7-6(14(12,13)11-4)2-5(8)3-9-7/h2-3H,1H3,(H,9,10,11)
InChIKeyLMGTYPWDKNOTCM-UHFFFAOYSA-N
XLogP1.27
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10633310) is 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cc(Cl)cnc2N1.
What is the InChIKey of 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is LMGTYPWDKNOTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2S/c1-4-10-7-6(14(12,13)11-4)2-5(8)3-9-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 231.66 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10633310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).