[(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite

C5H8INO2S — CID 118447711

IUPAC[(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite
SMILESO=C[C@@H]1CCCN1OSI
InChIInChI=1S/C5H8INO2S/c6-10-9-7-3-1-2-5(7)4-8/h4-5H,1-3H2/t5-/m0/s1
InChIKeyPINFJZNXFZLHQG-YFKPBYRVSA-N
MW273.10 g/mol
LogP1.58
Rot. Bonds3

About [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite

[(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite (PubChem CID 118447711) has the molecular formula C5H8INO2S and a molecular weight of 273.10 g/mol. Its IUPAC name is [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite.

Molecular Properties

Compound Name[(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite
PubChem CID118447711
Molecular FormulaC5H8INO2S
Molecular Weight273.10 g/mol
Exact Mass272.93
IUPAC Name[(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite
SMILESO=C[C@@H]1CCCN1OSI
InChIInChI=1S/C5H8INO2S/c6-10-9-7-3-1-2-5(7)4-8/h4-5H,1-3H2/t5-/m0/s1
InChIKeyPINFJZNXFZLHQG-YFKPBYRVSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite?
The IUPAC name of [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite (CID 118447711) is [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite.
What is the SMILES notation for [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite?
The canonical SMILES for [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite is O=C[C@@H]1CCCN1OSI.
What is the InChIKey of [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite?
The InChIKey is PINFJZNXFZLHQG-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8INO2S/c6-10-9-7-3-1-2-5(7)4-8/h4-5H,1-3H2/t5-/m0/s1.
What are the key properties of [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite?
[(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite has a molecular weight of 273.10 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-formylpyrrolidin-1-yl]oxy thiohypoiodite is sourced from PubChem (CID 118447711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).