3-(oxetan-3-ylsulfanyl)piperidine

C8H15NOS — CID 79327109

IUPAC3-(oxetan-3-ylsulfanyl)piperidine
SMILESC1CNCC(SC2COC2)C1
InChIInChI=1S/C8H15NOS/c1-2-7(4-9-3-1)11-8-5-10-6-8/h7-9H,1-6H2
InChIKeyPAYFCFGOAXTIRX-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.87
Rot. Bonds2

About 3-(oxetan-3-ylsulfanyl)piperidine

3-(oxetan-3-ylsulfanyl)piperidine (PubChem CID 79327109) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-(oxetan-3-ylsulfanyl)piperidine.

Molecular Properties

Compound Name3-(oxetan-3-ylsulfanyl)piperidine
PubChem CID79327109
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3-(oxetan-3-ylsulfanyl)piperidine
SMILESC1CNCC(SC2COC2)C1
InChIInChI=1S/C8H15NOS/c1-2-7(4-9-3-1)11-8-5-10-6-8/h7-9H,1-6H2
InChIKeyPAYFCFGOAXTIRX-UHFFFAOYSA-N
XLogP0.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-ylsulfanyl)piperidine?
The IUPAC name of 3-(oxetan-3-ylsulfanyl)piperidine (CID 79327109) is 3-(oxetan-3-ylsulfanyl)piperidine.
What is the SMILES notation for 3-(oxetan-3-ylsulfanyl)piperidine?
The canonical SMILES for 3-(oxetan-3-ylsulfanyl)piperidine is C1CNCC(SC2COC2)C1.
What is the InChIKey of 3-(oxetan-3-ylsulfanyl)piperidine?
The InChIKey is PAYFCFGOAXTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-7(4-9-3-1)11-8-5-10-6-8/h7-9H,1-6H2.
What are the key properties of 3-(oxetan-3-ylsulfanyl)piperidine?
3-(oxetan-3-ylsulfanyl)piperidine has a molecular weight of 173.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-ylsulfanyl)piperidine is sourced from PubChem (CID 79327109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).