1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione

C8H13NO3S2 — CID 130177387

IUPAC1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione
SMILESCC(C)(C)SSON1C(=O)CCC1=O
InChIInChI=1S/C8H13NO3S2/c1-8(2,3)13-14-12-9-6(10)4-5-7(9)11/h4-5H2,1-3H3
InChIKeyGABASJQRKZOZJS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds3

About 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione

1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione (PubChem CID 130177387) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione
PubChem CID130177387
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Name1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione
SMILESCC(C)(C)SSON1C(=O)CCC1=O
InChIInChI=1S/C8H13NO3S2/c1-8(2,3)13-14-12-9-6(10)4-5-7(9)11/h4-5H2,1-3H3
InChIKeyGABASJQRKZOZJS-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione?
The IUPAC name of 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione (CID 130177387) is 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione?
The canonical SMILES for 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione is CC(C)(C)SSON1C(=O)CCC1=O.
What is the InChIKey of 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione?
The InChIKey is GABASJQRKZOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-8(2,3)13-14-12-9-6(10)4-5-7(9)11/h4-5H2,1-3H3.
What are the key properties of 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione?
1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione has a molecular weight of 235.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butyldisulfanyl)oxypyrrolidine-2,5-dione is sourced from PubChem (CID 130177387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).