7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol

C15H15NO4S — CID 140800868

IUPAC7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol
SMILESCOc1cccc2c1N(C)S(=O)(=O)c1cccc(O)c1C2
InChIInChI=1S/C15H15NO4S/c1-16-15-10(5-3-7-13(15)20-2)9-11-12(17)6-4-8-14(11)21(16,18)19/h3-8,17H,9H2,1-2H3
InChIKeySMBRIYGYFYWHQC-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.13
Rot. Bonds1

About 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol

7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol (PubChem CID 140800868) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol.

Molecular Properties

Compound Name7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol
PubChem CID140800868
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol
SMILESCOc1cccc2c1N(C)S(=O)(=O)c1cccc(O)c1C2
InChIInChI=1S/C15H15NO4S/c1-16-15-10(5-3-7-13(15)20-2)9-11-12(17)6-4-8-14(11)21(16,18)19/h3-8,17H,9H2,1-2H3
InChIKeySMBRIYGYFYWHQC-UHFFFAOYSA-N
XLogP2.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol 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-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol?
The IUPAC name of 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol (CID 140800868) is 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol.
What is the SMILES notation for 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol?
The canonical SMILES for 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol is COc1cccc2c1N(C)S(=O)(=O)c1cccc(O)c1C2.
What is the InChIKey of 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol?
The InChIKey is SMBRIYGYFYWHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16-15-10(5-3-7-13(15)20-2)9-11-12(17)6-4-8-14(11)21(16,18)19/h3-8,17H,9H2,1-2H3.
What are the key properties of 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol?
7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol has a molecular weight of 305.36 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-1-ol is sourced from PubChem (CID 140800868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).