[[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite

C7H10INO3S3 — CID 88927424

IUPAC[[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite
SMILESCOC(C)N1C(=O)CC(SSSI)C1=O
InChIInChI=1S/C7H10INO3S3/c1-4(12-2)9-6(10)3-5(7(9)11)13-15-14-8/h4-5H,3H2,1-2H3
InChIKeyJFXGJBFQWVCPNJ-UHFFFAOYSA-N
MW379.27 g/mol
LogP2.49
Rot. Bonds5

About [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite

[[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite (PubChem CID 88927424) has the molecular formula C7H10INO3S3 and a molecular weight of 379.27 g/mol. Its IUPAC name is [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite.

Molecular Properties

Compound Name[[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite
PubChem CID88927424
Molecular FormulaC7H10INO3S3
Molecular Weight379.27 g/mol
Exact Mass378.89
IUPAC Name[[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite
SMILESCOC(C)N1C(=O)CC(SSSI)C1=O
InChIInChI=1S/C7H10INO3S3/c1-4(12-2)9-6(10)3-5(7(9)11)13-15-14-8/h4-5H,3H2,1-2H3
InChIKeyJFXGJBFQWVCPNJ-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite?
The IUPAC name of [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite (CID 88927424) is [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite.
What is the SMILES notation for [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite?
The canonical SMILES for [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite is COC(C)N1C(=O)CC(SSSI)C1=O.
What is the InChIKey of [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite?
The InChIKey is JFXGJBFQWVCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO3S3/c1-4(12-2)9-6(10)3-5(7(9)11)13-15-14-8/h4-5H,3H2,1-2H3.
What are the key properties of [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite?
[[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite has a molecular weight of 379.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(1-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite is sourced from PubChem (CID 88927424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).