7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide

C7H7ClN2O2S — CID 105357322

IUPAC7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
SMILESO=S1(=O)CCNc2cc(Cl)cnc21
InChIInChI=1S/C7H7ClN2O2S/c8-5-3-6-7(10-4-5)13(11,12)2-1-9-6/h3-4,9H,1-2H2
InChIKeyDAUPBHUUTUZQQM-UHFFFAOYSA-N
MW218.66 g/mol
LogP0.93
Rot. Bonds

About 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide

7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide (PubChem CID 105357322) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
PubChem CID105357322
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
SMILESO=S1(=O)CCNc2cc(Cl)cnc21
InChIInChI=1S/C7H7ClN2O2S/c8-5-3-6-7(10-4-5)13(11,12)2-1-9-6/h3-4,9H,1-2H2
InChIKeyDAUPBHUUTUZQQM-UHFFFAOYSA-N
XLogP0.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide?
The IUPAC name of 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide (CID 105357322) is 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide.
What is the SMILES notation for 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide?
The canonical SMILES for 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide is O=S1(=O)CCNc2cc(Cl)cnc21.
What is the InChIKey of 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide?
The InChIKey is DAUPBHUUTUZQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c8-5-3-6-7(10-4-5)13(11,12)2-1-9-6/h3-4,9H,1-2H2.
What are the key properties of 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide?
7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide has a molecular weight of 218.66 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide is sourced from PubChem (CID 105357322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).