piperidine-3-thiol;hydrochloride

C5H12ClNS — CID 56604780

IUPACpiperidine-3-thiol;hydrochloride
SMILESCl.SC1CCCNC1
InChIInChI=1S/C5H11NS.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H
InChIKeyPTPVVEVNGARLMO-UHFFFAOYSA-N
MW153.68 g/mol
LogP1.09
Rot. Bonds

About piperidine-3-thiol;hydrochloride

piperidine-3-thiol;hydrochloride (PubChem CID 56604780) has the molecular formula C5H12ClNS and a molecular weight of 153.68 g/mol. Its IUPAC name is piperidine-3-thiol;hydrochloride.

Molecular Properties

Compound Namepiperidine-3-thiol;hydrochloride
PubChem CID56604780
Molecular FormulaC5H12ClNS
Molecular Weight153.68 g/mol
Exact Mass153.04
IUPAC Namepiperidine-3-thiol;hydrochloride
SMILESCl.SC1CCCNC1
InChIInChI=1S/C5H11NS.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H
InChIKeyPTPVVEVNGARLMO-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-piperidine-3-thiol
CID 87194956
methanamine;piperidine-3-thiol
CID 145273838
piperidin-3-ol;dihydrochloride
CID 67374500
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
3-methoxypiperidine;hydrochloride
CID 23142000
piperidine-3-carbonitrile;hydrochloride
CID 53400639
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
ethane;(3S)-3-methylpiperidine
CID 144634573
3-methanidylpiperidine;yttrium
CID 59057892
piperidin-3-amine;hydrate
CID 90355910

Frequently Asked Questions

What is the IUPAC name of piperidine-3-thiol;hydrochloride?
The IUPAC name of piperidine-3-thiol;hydrochloride (CID 56604780) is piperidine-3-thiol;hydrochloride.
What is the SMILES notation for piperidine-3-thiol;hydrochloride?
The canonical SMILES for piperidine-3-thiol;hydrochloride is Cl.SC1CCCNC1.
What is the InChIKey of piperidine-3-thiol;hydrochloride?
The InChIKey is PTPVVEVNGARLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H.
What are the key properties of piperidine-3-thiol;hydrochloride?
piperidine-3-thiol;hydrochloride has a molecular weight of 153.68 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3-thiol;hydrochloride is sourced from PubChem (CID 56604780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).