(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone

C16H15NO3S2 — CID 6623577

IUPAC(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCCC1
InChIInChI=1S/C16H15NO3S2/c18-16(17-7-3-4-8-17)13-9-11-10-22(19,20)14-6-2-1-5-12(14)15(11)21-13/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyIAHXMYMZSMTYCL-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.94
Rot. Bonds1

About (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone

(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 6623577) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID6623577
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCCC1
InChIInChI=1S/C16H15NO3S2/c18-16(17-7-3-4-8-17)13-9-11-10-22(19,20)14-6-2-1-5-12(14)15(11)21-13/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyIAHXMYMZSMTYCL-UHFFFAOYSA-N
XLogP2.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone 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 (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone (CID 6623577) is (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCCC1.
What is the InChIKey of (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is IAHXMYMZSMTYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c18-16(17-7-3-4-8-17)13-9-11-10-22(19,20)14-6-2-1-5-12(14)15(11)21-13/h1-2,5-6,9H,3-4,7-8,10H2.
What are the key properties of (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone?
(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 333.43 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 6623577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).