[3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite

C7H12INO2S — CID 137436486

IUPAC[3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite
SMILESCC(=O)N(C)C1CC(OSI)C1
InChIInChI=1S/C7H12INO2S/c1-5(10)9(2)6-3-7(4-6)11-12-8/h6-7H,3-4H2,1-2H3
InChIKeyUADOSOONARUWFR-UHFFFAOYSA-N
MW301.15 g/mol
LogP2.01
Rot. Bonds3

About [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite

[3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite (PubChem CID 137436486) has the molecular formula C7H12INO2S and a molecular weight of 301.15 g/mol. Its IUPAC name is [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite.

Molecular Properties

Compound Name[3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite
PubChem CID137436486
Molecular FormulaC7H12INO2S
Molecular Weight301.15 g/mol
Exact Mass300.96
IUPAC Name[3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite
SMILESCC(=O)N(C)C1CC(OSI)C1
InChIInChI=1S/C7H12INO2S/c1-5(10)9(2)6-3-7(4-6)11-12-8/h6-7H,3-4H2,1-2H3
InChIKeyUADOSOONARUWFR-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite?
The IUPAC name of [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite (CID 137436486) is [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite.
What is the SMILES notation for [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite?
The canonical SMILES for [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite is CC(=O)N(C)C1CC(OSI)C1.
What is the InChIKey of [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite?
The InChIKey is UADOSOONARUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO2S/c1-5(10)9(2)6-3-7(4-6)11-12-8/h6-7H,3-4H2,1-2H3.
What are the key properties of [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite?
[3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite has a molecular weight of 301.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[acetyl(methyl)amino]cyclobutyl]oxy thiohypoiodite is sourced from PubChem (CID 137436486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).