5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol

C20H20N2O4S — CID 126842709

IUPAC5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol
SMILESCOc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1O
InChIInChI=1S/C20H20N2O4S/c1-22(2)15-9-8-14-19-13(15)5-4-6-18(19)27(24,25)21-20(14)12-7-10-17(26-3)16(23)11-12/h4-11,20-21,23H,1-3H3
InChIKeyNGSBQVKCJPOFSC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.00
Rot. Bonds3

About 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol

5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol (PubChem CID 126842709) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol
PubChem CID126842709
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol
SMILESCOc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1O
InChIInChI=1S/C20H20N2O4S/c1-22(2)15-9-8-14-19-13(15)5-4-6-18(19)27(24,25)21-20(14)12-7-10-17(26-3)16(23)11-12/h4-11,20-21,23H,1-3H3
InChIKeyNGSBQVKCJPOFSC-UHFFFAOYSA-N
XLogP3.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol 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 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol?
The IUPAC name of 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol (CID 126842709) is 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol?
The canonical SMILES for 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol is COc1ccc(C2NS(=O)(=O)c3cccc4c(N(C)C)ccc2c34)cc1O.
What is the InChIKey of 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol?
The InChIKey is NGSBQVKCJPOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-22(2)15-9-8-14-19-13(15)5-4-6-18(19)27(24,25)21-20(14)12-7-10-17(26-3)16(23)11-12/h4-11,20-21,23H,1-3H3.
What are the key properties of 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol?
5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol has a molecular weight of 384.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(dimethylamino)-2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-methoxyphenol is sourced from PubChem (CID 126842709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).