4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine

C7H15NO5S2 — CID 58896636

IUPAC4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine
SMILESCSOOOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO5S2/c1-14-13-12-11-7-3-5-8(6-4-7)15(2,9)10/h7H,3-6H2,1-2H3
InChIKeyZWBOIABCBWKLHJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.57
Rot. Bonds5

About 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine

4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine (PubChem CID 58896636) has the molecular formula C7H15NO5S2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine
PubChem CID58896636
Molecular FormulaC7H15NO5S2
Molecular Weight257.33 g/mol
Exact Mass257.04
IUPAC Name4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine
SMILESCSOOOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO5S2/c1-14-13-12-11-7-3-5-8(6-4-7)15(2,9)10/h7H,3-6H2,1-2H3
InChIKeyZWBOIABCBWKLHJ-UHFFFAOYSA-N
XLogP0.57
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.57
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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Related Compounds

1-Methanesulfonylpiperidin-4-ol
CID 22272981
4-Methoxy-1-(methylsulfonyl)piperidine
CID 5136335
1-Methylpiperidin-4-yl methanesulfonate
CID 4190681
1-(Methylsulfonyl)piperidin-4-yl methanesulfonate
CID 22273065
1-Methylsulfonyl-4-propan-2-yloxypiperidine
CID 57562792
1-(Chloromethylsulfonyl)-4-methoxypiperidine
CID 58168414
1-(Methoxyperoxysulfanylmethylsulfonyl)piperidine
CID 59254161
4-Ethoxy-1-methylsulfonylpiperidine
CID 61222777
O-(1-methylsulfonylpiperidin-4-yl)hydroxylamine
CID 84114130
Methanesulfonic acid 1-methoxy-piperidin-4-yl ester
CID 86663299
CID 88939017
CID 88939017
1-Methylsulfonyl-4-sulfanyloxypiperidine
CID 89903615

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine?
The IUPAC name of 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine (CID 58896636) is 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine?
The canonical SMILES for 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine is CSOOOC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine?
The InChIKey is ZWBOIABCBWKLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S2/c1-14-13-12-11-7-3-5-8(6-4-7)15(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine?
4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyloxyperoxy-1-methylsulfonylpiperidine is sourced from PubChem (CID 58896636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).