(1-methylsulfonylpiperidin-4-yl) hypoiodite

C6H12INO3S — CID 126626498

IUPAC(1-methylsulfonylpiperidin-4-yl) hypoiodite
SMILESCS(=O)(=O)N1CCC(OI)CC1
InChIInChI=1S/C6H12INO3S/c1-12(9,10)8-4-2-6(11-7)3-5-8/h6H,2-5H2,1H3
InChIKeyAKOPWRRDSVTPSI-UHFFFAOYSA-N
MW305.14 g/mol
LogP0.78
Rot. Bonds2

About (1-methylsulfonylpiperidin-4-yl) hypoiodite

(1-methylsulfonylpiperidin-4-yl) hypoiodite (PubChem CID 126626498) has the molecular formula C6H12INO3S and a molecular weight of 305.14 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl) hypoiodite.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl) hypoiodite
PubChem CID126626498
Molecular FormulaC6H12INO3S
Molecular Weight305.14 g/mol
Exact Mass304.96
IUPAC Name(1-methylsulfonylpiperidin-4-yl) hypoiodite
SMILESCS(=O)(=O)N1CCC(OI)CC1
InChIInChI=1S/C6H12INO3S/c1-12(9,10)8-4-2-6(11-7)3-5-8/h6H,2-5H2,1H3
InChIKeyAKOPWRRDSVTPSI-UHFFFAOYSA-N
XLogP0.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl) hypoiodite?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl) hypoiodite (CID 126626498) is (1-methylsulfonylpiperidin-4-yl) hypoiodite.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl) hypoiodite?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl) hypoiodite is CS(=O)(=O)N1CCC(OI)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl) hypoiodite?
The InChIKey is AKOPWRRDSVTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO3S/c1-12(9,10)8-4-2-6(11-7)3-5-8/h6H,2-5H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl) hypoiodite?
(1-methylsulfonylpiperidin-4-yl) hypoiodite has a molecular weight of 305.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl) hypoiodite is sourced from PubChem (CID 126626498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).