N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide

C10H13NO3S2 — CID 53394917

IUPACN-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide
SMILESCC(=O)NC1CC(C)S(=O)(=O)c2sccc21
InChIInChI=1S/C10H13NO3S2/c1-6-5-9(11-7(2)12)8-3-4-15-10(8)16(6,13)14/h3-4,6,9H,5H2,1-2H3,(H,11,12)
InChIKeyWJXLCNFSFHSWMJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.49
Rot. Bonds1

About N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide

N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide (PubChem CID 53394917) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide
PubChem CID53394917
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC NameN-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide
SMILESCC(=O)NC1CC(C)S(=O)(=O)c2sccc21
InChIInChI=1S/C10H13NO3S2/c1-6-5-9(11-7(2)12)8-3-4-15-10(8)16(6,13)14/h3-4,6,9H,5H2,1-2H3,(H,11,12)
InChIKeyWJXLCNFSFHSWMJ-UHFFFAOYSA-N
XLogP1.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

Dorzolamide
CID 5284549
Dorzolamide Hydrochloride
CID 6918132
Sezolamide
CID 60693
Sezolamide Hydrochloride
CID 60692
4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide
CID 3154
(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 92087
(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide
CID 5288859
(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 6604453
Trans-5,6-dihydro-4-ethylamino-6-(n-propyl)-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
CID 9863339
(4S,6R)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266117
ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]azanium
CID 36688115
(6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44390002

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
The IUPAC name of N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide (CID 53394917) is N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide.
What is the SMILES notation for N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
The canonical SMILES for N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is CC(=O)NC1CC(C)S(=O)(=O)c2sccc21.
What is the InChIKey of N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
The InChIKey is WJXLCNFSFHSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-6-5-9(11-7(2)12)8-3-4-15-10(8)16(6,13)14/h3-4,6,9H,5H2,1-2H3,(H,11,12).
What are the key properties of N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is sourced from PubChem (CID 53394917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).