6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide

C13H10ClNO3S2 — CID 19434000

IUPAC6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide
SMILESCOc1ccc(N2C=Cc3cc(Cl)sc3S2(=O)=O)cc1
InChIInChI=1S/C13H10ClNO3S2/c1-18-11-4-2-10(3-5-11)15-7-6-9-8-12(14)19-13(9)20(15,16)17/h2-8H,1H3
InChIKeyCPJBAPKJLLWOHM-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.59
Rot. Bonds2

About 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide

6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide (PubChem CID 19434000) has the molecular formula C13H10ClNO3S2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide
PubChem CID19434000
Molecular FormulaC13H10ClNO3S2
Molecular Weight327.81 g/mol
Exact Mass326.98
IUPAC Name6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide
SMILESCOc1ccc(N2C=Cc3cc(Cl)sc3S2(=O)=O)cc1
InChIInChI=1S/C13H10ClNO3S2/c1-18-11-4-2-10(3-5-11)15-7-6-9-8-12(14)19-13(9)20(15,16)17/h2-8H,1H3
InChIKeyCPJBAPKJLLWOHM-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-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 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide (CID 19434000) is 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide is COc1ccc(N2C=Cc3cc(Cl)sc3S2(=O)=O)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide?
The InChIKey is CPJBAPKJLLWOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S2/c1-18-11-4-2-10(3-5-11)15-7-6-9-8-12(14)19-13(9)20(15,16)17/h2-8H,1H3.
What are the key properties of 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide?
6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide has a molecular weight of 327.81 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)thieno[3,2-e]thiazine 1,1-dioxide is sourced from PubChem (CID 19434000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).