(3S)-piperidine-3-thiol

C5H11NS — CID 87194956

IUPAC(3S)-piperidine-3-thiol
SMILESS[C@H]1CCCNC1
InChIInChI=1S/C5H11NS/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m0/s1
InChIKeyCJZCQFMMGIXMNU-YFKPBYRVSA-N
MW117.22 g/mol
LogP0.67
Rot. Bonds

About (3S)-piperidine-3-thiol

(3S)-piperidine-3-thiol (PubChem CID 87194956) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (3S)-piperidine-3-thiol.

Molecular Properties

Compound Name(3S)-piperidine-3-thiol
PubChem CID87194956
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(3S)-piperidine-3-thiol
SMILESS[C@H]1CCCNC1
InChIInChI=1S/C5H11NS/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m0/s1
InChIKeyCJZCQFMMGIXMNU-YFKPBYRVSA-N
XLogP0.67
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.67
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

piperidine-3-thiol;hydrochloride
CID 56604780
methanamine;piperidine-3-thiol
CID 145273838
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
3-(piperidin-3-yldisulfanyl)piperidine
CID 152589134
3-methanidylpiperidine;yttrium
CID 59057892
piperidin-3-amine;hydrate
CID 90355910
(3S)-3-cyclohexylpiperidine
CID 7016473
(3S)-piperidin-3-amine;hydrate
CID 90355913
piperidin-3-ol;dihydrochloride
CID 67374500
ethane;(3S)-3-methylpiperidine
CID 144634573
piperidin-3-yloxyboronic acid
CID 142674048

Frequently Asked Questions

What is the IUPAC name of (3S)-piperidine-3-thiol?
The IUPAC name of (3S)-piperidine-3-thiol (CID 87194956) is (3S)-piperidine-3-thiol.
What is the SMILES notation for (3S)-piperidine-3-thiol?
The canonical SMILES for (3S)-piperidine-3-thiol is S[C@H]1CCCNC1.
What is the InChIKey of (3S)-piperidine-3-thiol?
The InChIKey is CJZCQFMMGIXMNU-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NS/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-piperidine-3-thiol?
(3S)-piperidine-3-thiol has a molecular weight of 117.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-piperidine-3-thiol is sourced from PubChem (CID 87194956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).