6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid

C17H19N3O7S3 — CID 10766865

IUPAC6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1cccc(C(=O)O)n1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C17H19N3O7S3/c1-3-20(15(21)11-5-4-6-12(19-11)16(22)23)13-7-9(2)29(24,25)17-10(13)8-14(28-17)30(18,26)27/h4-6,8-9,13H,3,7H2,1-2H3,(H,22,23)(H2,18,26,27)
InChIKeySBIXHTFAGXPOBZ-UHFFFAOYSA-N
MW473.55 g/mol
LogP1.26
Rot. Bonds5

About 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid

6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10766865) has the molecular formula C17H19N3O7S3 and a molecular weight of 473.55 g/mol. Its IUPAC name is 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10766865
Molecular FormulaC17H19N3O7S3
Molecular Weight473.55 g/mol
Exact Mass473.04
IUPAC Name6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1cccc(C(=O)O)n1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C17H19N3O7S3/c1-3-20(15(21)11-5-4-6-12(19-11)16(22)23)13-7-9(2)29(24,25)17-10(13)8-14(28-17)30(18,26)27/h4-6,8-9,13H,3,7H2,1-2H3,(H,22,23)(H2,18,26,27)
InChIKeySBIXHTFAGXPOBZ-UHFFFAOYSA-N
XLogP1.26
TPSA164.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid (CID 10766865) is 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid is CCN(C(=O)c1cccc(C(=O)O)n1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is SBIXHTFAGXPOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S3/c1-3-20(15(21)11-5-4-6-12(19-11)16(22)23)13-7-9(2)29(24,25)17-10(13)8-14(28-17)30(18,26)27/h4-6,8-9,13H,3,7H2,1-2H3,(H,22,23)(H2,18,26,27).
What are the key properties of 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 473.55 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10766865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).