1-methylperoxysulfanyl-4-propan-2-ylpiperidine

C9H19NO2S — CID 59588504

IUPAC1-methylperoxysulfanyl-4-propan-2-ylpiperidine
SMILESCOOSN1CCC(C(C)C)CC1
InChIInChI=1S/C9H19NO2S/c1-8(2)9-4-6-10(7-5-9)13-12-11-3/h8-9H,4-7H2,1-3H3
InChIKeyUFYDFORCSZJTII-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.50
Rot. Bonds4

About 1-methylperoxysulfanyl-4-propan-2-ylpiperidine

1-methylperoxysulfanyl-4-propan-2-ylpiperidine (PubChem CID 59588504) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-methylperoxysulfanyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-methylperoxysulfanyl-4-propan-2-ylpiperidine
PubChem CID59588504
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-methylperoxysulfanyl-4-propan-2-ylpiperidine
SMILESCOOSN1CCC(C(C)C)CC1
InChIInChI=1S/C9H19NO2S/c1-8(2)9-4-6-10(7-5-9)13-12-11-3/h8-9H,4-7H2,1-3H3
InChIKeyUFYDFORCSZJTII-UHFFFAOYSA-N
XLogP2.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylperoxysulfanyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-methylperoxysulfanyl-4-propan-2-ylpiperidine (CID 59588504) is 1-methylperoxysulfanyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-methylperoxysulfanyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-methylperoxysulfanyl-4-propan-2-ylpiperidine is COOSN1CCC(C(C)C)CC1.
What is the InChIKey of 1-methylperoxysulfanyl-4-propan-2-ylpiperidine?
The InChIKey is UFYDFORCSZJTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)9-4-6-10(7-5-9)13-12-11-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methylperoxysulfanyl-4-propan-2-ylpiperidine?
1-methylperoxysulfanyl-4-propan-2-ylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylperoxysulfanyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 59588504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).