1-(methoxyperoxysulfanylmethylsulfonyl)piperidine

C7H15NO5S2 — CID 59254161

IUPAC1-(methoxyperoxysulfanylmethylsulfonyl)piperidine
SMILESCOOOSCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H15NO5S2/c1-11-12-13-14-7-15(9,10)8-5-3-2-4-6-8/h2-7H2,1H3
InChIKeyMTPUVMBAIWIPGP-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.92
Rot. Bonds6

About 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine

1-(methoxyperoxysulfanylmethylsulfonyl)piperidine (PubChem CID 59254161) has the molecular formula C7H15NO5S2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(methoxyperoxysulfanylmethylsulfonyl)piperidine
PubChem CID59254161
Molecular FormulaC7H15NO5S2
Molecular Weight257.33 g/mol
Exact Mass257.04
IUPAC Name1-(methoxyperoxysulfanylmethylsulfonyl)piperidine
SMILESCOOOSCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H15NO5S2/c1-11-12-13-14-7-15(9,10)8-5-3-2-4-6-8/h2-7H2,1H3
InChIKeyMTPUVMBAIWIPGP-UHFFFAOYSA-N
XLogP0.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine?
The IUPAC name of 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine (CID 59254161) is 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine is COOOSCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine?
The InChIKey is MTPUVMBAIWIPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S2/c1-11-12-13-14-7-15(9,10)8-5-3-2-4-6-8/h2-7H2,1H3.
What are the key properties of 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine?
1-(methoxyperoxysulfanylmethylsulfonyl)piperidine has a molecular weight of 257.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxyperoxysulfanylmethylsulfonyl)piperidine is sourced from PubChem (CID 59254161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).