1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one

C17H15NO4S2 — CID 23602493

IUPAC1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1
InChIInChI=1S/C17H15NO4S2/c19-12-5-7-18(8-6-12)17(20)14-9-11-10-24(21,22)15-4-2-1-3-13(15)16(11)23-14/h1-4,9H,5-8,10H2
InChIKeyJIOSKGYAKKFEEP-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.51
Rot. Bonds1

About 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one

1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one (PubChem CID 23602493) has the molecular formula C17H15NO4S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one
PubChem CID23602493
Molecular FormulaC17H15NO4S2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC Name1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1
InChIInChI=1S/C17H15NO4S2/c19-12-5-7-18(8-6-12)17(20)14-9-11-10-24(21,22)15-4-2-1-3-13(15)16(11)23-14/h1-4,9H,5-8,10H2
InChIKeyJIOSKGYAKKFEEP-UHFFFAOYSA-N
XLogP2.51
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one 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

azepan-1-yl-(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 23602624
N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602501
(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 23602497
N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602413
(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 23602666
N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602378
N-ethyl-5,5-dioxo-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602466
N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602480
N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602484
N-[(2-chlorophenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602486
4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561069
1,4-diazepan-1-yl(4,5-dihydrobenzo[g][1]benzothiol-2-yl)methanone
CID 119415545

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one?
The IUPAC name of 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one (CID 23602493) is 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1.
What is the InChIKey of 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one?
The InChIKey is JIOSKGYAKKFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S2/c19-12-5-7-18(8-6-12)17(20)14-9-11-10-24(21,22)15-4-2-1-3-13(15)16(11)23-14/h1-4,9H,5-8,10H2.
What are the key properties of 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one?
1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one has a molecular weight of 361.44 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 23602493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).