1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione

C13H16N3O10S3- — CID 59824169

IUPAC1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione
SMILESO=C1CCCN1S(=O)(=O)[C-](S(=O)(=O)N1CCCC1=O)S(=O)(=O)N1C(=O)CCC1=O
InChIInChI=1S/C13H16N3O10S3/c17-9-3-1-7-14(9)27(21,22)13(28(23,24)15-8-2-4-10(15)18)29(25,26)16-11(19)5-6-12(16)20/h1-8H2/q-1
InChIKeyKKVIFKKVMBSJSL-UHFFFAOYSA-N
MW470.48 g/mol
LogP-2.18
Rot. Bonds6

About 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione

1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione (PubChem CID 59824169) has the molecular formula C13H16N3O10S3- and a molecular weight of 470.48 g/mol. Its IUPAC name is 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione
PubChem CID59824169
Molecular FormulaC13H16N3O10S3-
Molecular Weight470.48 g/mol
Exact Mass470.00
IUPAC Name1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione
SMILESO=C1CCCN1S(=O)(=O)[C-](S(=O)(=O)N1CCCC1=O)S(=O)(=O)N1C(=O)CCC1=O
InChIInChI=1S/C13H16N3O10S3/c17-9-3-1-7-14(9)27(21,22)13(28(23,24)15-8-2-4-10(15)18)29(25,26)16-11(19)5-6-12(16)20/h1-8H2/q-1
InChIKeyKKVIFKKVMBSJSL-UHFFFAOYSA-N
XLogP-2.18
TPSA180.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione (CID 59824169) is 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione is O=C1CCCN1S(=O)(=O)[C-](S(=O)(=O)N1CCCC1=O)S(=O)(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione?
The InChIKey is KKVIFKKVMBSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N3O10S3/c17-9-3-1-7-14(9)27(21,22)13(28(23,24)15-8-2-4-10(15)18)29(25,26)16-11(19)5-6-12(16)20/h1-8H2/q-1.
What are the key properties of 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione?
1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione has a molecular weight of 470.48 g/mol, XLogP of -2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(2-oxopyrrolidin-1-yl)sulfonyl]methylsulfonyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 59824169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).