1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid

C12H14O4S2 — CID 84813843

IUPAC1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(s2)CCS(=O)(=O)C3)CCC1
InChIInChI=1S/C12H14O4S2/c13-11(14)12(3-1-4-12)10-6-8-7-18(15,16)5-2-9(8)17-10/h6H,1-5,7H2,(H,13,14)
InChIKeyZWGHJDGNVZPGSE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.73
Rot. Bonds2

About 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid

1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 84813843) has the molecular formula C12H14O4S2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
PubChem CID84813843
Molecular FormulaC12H14O4S2
Molecular Weight286.37 g/mol
Exact Mass286.03
IUPAC Name1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(s2)CCS(=O)(=O)C3)CCC1
InChIInChI=1S/C12H14O4S2/c13-11(14)12(3-1-4-12)10-6-8-7-18(15,16)5-2-9(8)17-10/h6H,1-5,7H2,(H,13,14)
InChIKeyZWGHJDGNVZPGSE-UHFFFAOYSA-N
XLogP1.73
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid 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

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96794208
[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine
CID 84805620
2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 84802884
1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid
CID 82621200
[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227528
5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 75452759
1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid
CID 177324098
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine
CID 96770978
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
[(2S,5R)-2,5-dimethylpiperidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227500
1-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1-carboxylic acid
CID 117443077
1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
CID 123465513

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid (CID 84813843) is 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc3c(s2)CCS(=O)(=O)C3)CCC1.
What is the InChIKey of 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is ZWGHJDGNVZPGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4S2/c13-11(14)12(3-1-4-12)10-6-8-7-18(15,16)5-2-9(8)17-10/h6H,1-5,7H2,(H,13,14).
What are the key properties of 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid?
1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 84813843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).