(1-methylpiperidin-4-yl)oxysulfanyl hypoiodite

C6H12INO2S — CID 164870323

IUPAC(1-methylpiperidin-4-yl)oxysulfanyl hypoiodite
SMILESCN1CCC(OSOI)CC1
InChIInChI=1S/C6H12INO2S/c1-8-4-2-6(3-5-8)9-11-10-7/h6H,2-5H2,1H3
InChIKeyYKPGERITXMROSA-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.03
Rot. Bonds3

About (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite

(1-methylpiperidin-4-yl)oxysulfanyl hypoiodite (PubChem CID 164870323) has the molecular formula C6H12INO2S and a molecular weight of 289.14 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)oxysulfanyl hypoiodite
PubChem CID164870323
Molecular FormulaC6H12INO2S
Molecular Weight289.14 g/mol
Exact Mass288.96
IUPAC Name(1-methylpiperidin-4-yl)oxysulfanyl hypoiodite
SMILESCN1CCC(OSOI)CC1
InChIInChI=1S/C6H12INO2S/c1-8-4-2-6(3-5-8)9-11-10-7/h6H,2-5H2,1H3
InChIKeyYKPGERITXMROSA-UHFFFAOYSA-N
XLogP2.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-iodoethoxy)-1-methylpiperidine
CID 155007937
4-methoxy-1-methylazepane
CID 22967045
4-(azetidin-3-yloxy)-1-methylpiperidine
CID 146420292
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
4-methanidyl-1-methylpiperidine;uranium
CID 58931509
1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine
CID 146180819
1-methyl-4-piperidin-4-yloxypiperidine;hydrochloride
CID 84819365
ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 170629571
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
(4R)-1,4,5-trimethylazepane
CID 89169089
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite?
The IUPAC name of (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite (CID 164870323) is (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite.
What is the SMILES notation for (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite?
The canonical SMILES for (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite is CN1CCC(OSOI)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite?
The InChIKey is YKPGERITXMROSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO2S/c1-8-4-2-6(3-5-8)9-11-10-7/h6H,2-5H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite?
(1-methylpiperidin-4-yl)oxysulfanyl hypoiodite has a molecular weight of 289.14 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)oxysulfanyl hypoiodite is sourced from PubChem (CID 164870323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).