2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite

C12H22INO4S — CID 167250785

IUPAC2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite
SMILESCSC1CCN(C(=O)COCCOCCOI)CC1
InChIInChI=1S/C12H22INO4S/c1-19-11-2-4-14(5-3-11)12(15)10-17-7-6-16-8-9-18-13/h11H,2-10H2,1H3
InChIKeyDBQFDBFTBGPKNV-UHFFFAOYSA-N
MW403.28 g/mol
LogP1.74
Rot. Bonds9

About 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite

2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite (PubChem CID 167250785) has the molecular formula C12H22INO4S and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite.

Molecular Properties

Compound Name2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite
PubChem CID167250785
Molecular FormulaC12H22INO4S
Molecular Weight403.28 g/mol
Exact Mass403.03
IUPAC Name2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite
SMILESCSC1CCN(C(=O)COCCOCCOI)CC1
InChIInChI=1S/C12H22INO4S/c1-19-11-2-4-14(5-3-11)12(15)10-17-7-6-16-8-9-18-13/h11H,2-10H2,1H3
InChIKeyDBQFDBFTBGPKNV-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite?
The IUPAC name of 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite (CID 167250785) is 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite.
What is the SMILES notation for 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite?
The canonical SMILES for 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite is CSC1CCN(C(=O)COCCOCCOI)CC1.
What is the InChIKey of 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite?
The InChIKey is DBQFDBFTBGPKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22INO4S/c1-19-11-2-4-14(5-3-11)12(15)10-17-7-6-16-8-9-18-13/h11H,2-10H2,1H3.
What are the key properties of 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite?
2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite has a molecular weight of 403.28 g/mol, XLogP of 1.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylsulfanylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethyl hypoiodite is sourced from PubChem (CID 167250785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).