(2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one

C16H16N2O6S4 — CID 3076481

IUPAC(2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)[C@H](c2cccs2)N1CCN1C(=O)CS(=O)(=O)[C@H]1c1cccs1
InChIInChI=1S/C16H16N2O6S4/c19-13-9-27(21,22)15(11-3-1-7-25-11)17(13)5-6-18-14(20)10-28(23,24)16(18)12-4-2-8-26-12/h1-4,7-8,15-16H,5-6,9-10H2/t15-,16+
InChIKeyQOBDLYKLEYOQGS-IYBDPMFKSA-N
MW460.58 g/mol
LogP1.02
Rot. Bonds5

About (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one

(2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 3076481) has the molecular formula C16H16N2O6S4 and a molecular weight of 460.58 g/mol. Its IUPAC name is (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID3076481
Molecular FormulaC16H16N2O6S4
Molecular Weight460.58 g/mol
Exact Mass459.99
IUPAC Name(2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)[C@H](c2cccs2)N1CCN1C(=O)CS(=O)(=O)[C@H]1c1cccs1
InChIInChI=1S/C16H16N2O6S4/c19-13-9-27(21,22)15(11-3-1-7-25-11)17(13)5-6-18-14(20)10-28(23,24)16(18)12-4-2-8-26-12/h1-4,7-8,15-16H,5-6,9-10H2/t15-,16+
InChIKeyQOBDLYKLEYOQGS-IYBDPMFKSA-N
XLogP1.02
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one (CID 3076481) is (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CS(=O)(=O)[C@H](c2cccs2)N1CCN1C(=O)CS(=O)(=O)[C@H]1c1cccs1.
What is the InChIKey of (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is QOBDLYKLEYOQGS-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H16N2O6S4/c19-13-9-27(21,22)15(11-3-1-7-25-11)17(13)5-6-18-14(20)10-28(23,24)16(18)12-4-2-8-26-12/h1-4,7-8,15-16H,5-6,9-10H2/t15-,16+.
What are the key properties of (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one?
(2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 460.58 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-dioxo-2-thiophen-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3076481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).