1-(1,3-dithiol-2-yl)piperidine

C8H13NS2 — CID 14269947

IUPAC1-(1,3-dithiol-2-yl)piperidine
SMILESC1=CSC(N2CCCCC2)S1
InChIInChI=1S/C8H13NS2/c1-2-4-9(5-3-1)8-10-6-7-11-8/h6-8H,1-5H2
InChIKeyMYSLOXNDEVWPMH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.71
Rot. Bonds1

About 1-(1,3-dithiol-2-yl)piperidine

1-(1,3-dithiol-2-yl)piperidine (PubChem CID 14269947) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(1,3-dithiol-2-yl)piperidine.

Molecular Properties

Compound Name1-(1,3-dithiol-2-yl)piperidine
PubChem CID14269947
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name1-(1,3-dithiol-2-yl)piperidine
SMILESC1=CSC(N2CCCCC2)S1
InChIInChI=1S/C8H13NS2/c1-2-4-9(5-3-1)8-10-6-7-11-8/h6-8H,1-5H2
InChIKeyMYSLOXNDEVWPMH-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiol-2-yl)piperidine?
The IUPAC name of 1-(1,3-dithiol-2-yl)piperidine (CID 14269947) is 1-(1,3-dithiol-2-yl)piperidine.
What is the SMILES notation for 1-(1,3-dithiol-2-yl)piperidine?
The canonical SMILES for 1-(1,3-dithiol-2-yl)piperidine is C1=CSC(N2CCCCC2)S1.
What is the InChIKey of 1-(1,3-dithiol-2-yl)piperidine?
The InChIKey is MYSLOXNDEVWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-2-4-9(5-3-1)8-10-6-7-11-8/h6-8H,1-5H2.
What are the key properties of 1-(1,3-dithiol-2-yl)piperidine?
1-(1,3-dithiol-2-yl)piperidine has a molecular weight of 187.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiol-2-yl)piperidine is sourced from PubChem (CID 14269947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).