1-(2-propan-2-ylsulfanylperoxyethyl)piperidine

C10H21NO2S — CID 20616508

IUPAC1-(2-propan-2-ylsulfanylperoxyethyl)piperidine
SMILESCC(C)SOOCCN1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2)14-13-12-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyDINSYMLWNWEJQD-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.48
Rot. Bonds6

About 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine

1-(2-propan-2-ylsulfanylperoxyethyl)piperidine (PubChem CID 20616508) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfanylperoxyethyl)piperidine
PubChem CID20616508
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-(2-propan-2-ylsulfanylperoxyethyl)piperidine
SMILESCC(C)SOOCCN1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2)14-13-12-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyDINSYMLWNWEJQD-UHFFFAOYSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-propan-2-ylsulfanylperoxyethyl)piperidine?
The IUPAC name of 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine (CID 20616508) is 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine.
What is the SMILES notation for 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine?
The canonical SMILES for 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine is CC(C)SOOCCN1CCCCC1.
What is the InChIKey of 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine?
The InChIKey is DINSYMLWNWEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2)14-13-12-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine?
1-(2-propan-2-ylsulfanylperoxyethyl)piperidine has a molecular weight of 219.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfanylperoxyethyl)piperidine is sourced from PubChem (CID 20616508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).