1-iodo-3-sulfanylpyrrolidine-2,5-dione

C4H4INO2S — CID 130374102

IUPAC1-iodo-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(S)C(=O)N1I
InChIInChI=1S/C4H4INO2S/c5-6-3(7)1-2(9)4(6)8/h2,9H,1H2
InChIKeyTYRFYSWQHKEKCN-UHFFFAOYSA-N
MW257.05 g/mol
LogP0.39
Rot. Bonds

About 1-iodo-3-sulfanylpyrrolidine-2,5-dione

1-iodo-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 130374102) has the molecular formula C4H4INO2S and a molecular weight of 257.05 g/mol. Its IUPAC name is 1-iodo-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-iodo-3-sulfanylpyrrolidine-2,5-dione
PubChem CID130374102
Molecular FormulaC4H4INO2S
Molecular Weight257.05 g/mol
Exact Mass256.90
IUPAC Name1-iodo-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(S)C(=O)N1I
InChIInChI=1S/C4H4INO2S/c5-6-3(7)1-2(9)4(6)8/h2,9H,1H2
InChIKeyTYRFYSWQHKEKCN-UHFFFAOYSA-N
XLogP0.39
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.05
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-iodopyrrolidine-2,5-dione
CID 148810679
1-phosphanyl-3-sulfanylpyrrolidine-2,5-dione
CID 142981400
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanal
CID 139380902
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747
CID 174110569
CID 174110569
(2,5-dioxo-3-sulfanylpyrrolidin-1-yl) 2-methylpropanoate
CID 138475521
1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890
CID 145098105
CID 145098105
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 71581754

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-iodo-3-sulfanylpyrrolidine-2,5-dione (CID 130374102) is 1-iodo-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-iodo-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-iodo-3-sulfanylpyrrolidine-2,5-dione is O=C1CC(S)C(=O)N1I.
What is the InChIKey of 1-iodo-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is TYRFYSWQHKEKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO2S/c5-6-3(7)1-2(9)4(6)8/h2,9H,1H2.
What are the key properties of 1-iodo-3-sulfanylpyrrolidine-2,5-dione?
1-iodo-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 257.05 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 130374102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).