4-hydroxypiperidine-3-thione

C5H9NOS — CID 91422985

IUPAC4-hydroxypiperidine-3-thione
SMILESOC1CCNCC1=S
InChIInChI=1S/C5H9NOS/c7-4-1-2-6-3-5(4)8/h4,6-7H,1-3H2
InChIKeyVFFRKCRBUPMTFX-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.29
Rot. Bonds

About 4-hydroxypiperidine-3-thione

4-hydroxypiperidine-3-thione (PubChem CID 91422985) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-hydroxypiperidine-3-thione.

Molecular Properties

Compound Name4-hydroxypiperidine-3-thione
PubChem CID91422985
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name4-hydroxypiperidine-3-thione
SMILESOC1CCNCC1=S
InChIInChI=1S/C5H9NOS/c7-4-1-2-6-3-5(4)8/h4,6-7H,1-3H2
InChIKeyVFFRKCRBUPMTFX-UHFFFAOYSA-N
XLogP-0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypiperidine-3-thione?
The IUPAC name of 4-hydroxypiperidine-3-thione (CID 91422985) is 4-hydroxypiperidine-3-thione.
What is the SMILES notation for 4-hydroxypiperidine-3-thione?
The canonical SMILES for 4-hydroxypiperidine-3-thione is OC1CCNCC1=S.
What is the InChIKey of 4-hydroxypiperidine-3-thione?
The InChIKey is VFFRKCRBUPMTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c7-4-1-2-6-3-5(4)8/h4,6-7H,1-3H2.
What are the key properties of 4-hydroxypiperidine-3-thione?
4-hydroxypiperidine-3-thione has a molecular weight of 131.20 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypiperidine-3-thione is sourced from PubChem (CID 91422985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).