3-(piperidin-3-yldisulfanyl)piperidine

C10H20N2S2 — CID 152589134

IUPAC3-(piperidin-3-yldisulfanyl)piperidine
SMILESC1CNCC(SSC2CCCNC2)C1
InChIInChI=1S/C10H20N2S2/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10/h9-12H,1-8H2
InChIKeyYVCFLNMEBAQSFN-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.87
Rot. Bonds3

About 3-(piperidin-3-yldisulfanyl)piperidine

3-(piperidin-3-yldisulfanyl)piperidine (PubChem CID 152589134) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 3-(piperidin-3-yldisulfanyl)piperidine.

Molecular Properties

Compound Name3-(piperidin-3-yldisulfanyl)piperidine
PubChem CID152589134
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name3-(piperidin-3-yldisulfanyl)piperidine
SMILESC1CNCC(SSC2CCCNC2)C1
InChIInChI=1S/C10H20N2S2/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10/h9-12H,1-8H2
InChIKeyYVCFLNMEBAQSFN-UHFFFAOYSA-N
XLogP1.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-yldisulfanyl)piperidine?
The IUPAC name of 3-(piperidin-3-yldisulfanyl)piperidine (CID 152589134) is 3-(piperidin-3-yldisulfanyl)piperidine.
What is the SMILES notation for 3-(piperidin-3-yldisulfanyl)piperidine?
The canonical SMILES for 3-(piperidin-3-yldisulfanyl)piperidine is C1CNCC(SSC2CCCNC2)C1.
What is the InChIKey of 3-(piperidin-3-yldisulfanyl)piperidine?
The InChIKey is YVCFLNMEBAQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10/h9-12H,1-8H2.
What are the key properties of 3-(piperidin-3-yldisulfanyl)piperidine?
3-(piperidin-3-yldisulfanyl)piperidine has a molecular weight of 232.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-yldisulfanyl)piperidine is sourced from PubChem (CID 152589134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).