3-oxo-3-piperidin-1-ylpropanethioamide

C8H14N2OS — CID 2771374

IUPAC3-oxo-3-piperidin-1-ylpropanethioamide
SMILESNC(=S)CC(=O)N1CCCCC1
InChIInChI=1S/C8H14N2OS/c9-7(12)6-8(11)10-4-2-1-3-5-10/h1-6H2,(H2,9,12)
InChIKeyFBMIKPMPNVWMDE-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.68
Rot. Bonds2

About 3-oxo-3-piperidin-1-ylpropanethioamide

3-oxo-3-piperidin-1-ylpropanethioamide (PubChem CID 2771374) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-oxo-3-piperidin-1-ylpropanethioamide.

Molecular Properties

Compound Name3-oxo-3-piperidin-1-ylpropanethioamide
PubChem CID2771374
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-oxo-3-piperidin-1-ylpropanethioamide
SMILESNC(=S)CC(=O)N1CCCCC1
InChIInChI=1S/C8H14N2OS/c9-7(12)6-8(11)10-4-2-1-3-5-10/h1-6H2,(H2,9,12)
InChIKeyFBMIKPMPNVWMDE-UHFFFAOYSA-N
XLogP0.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-piperidin-1-ylpropanethioamide?
The IUPAC name of 3-oxo-3-piperidin-1-ylpropanethioamide (CID 2771374) is 3-oxo-3-piperidin-1-ylpropanethioamide.
What is the SMILES notation for 3-oxo-3-piperidin-1-ylpropanethioamide?
The canonical SMILES for 3-oxo-3-piperidin-1-ylpropanethioamide is NC(=S)CC(=O)N1CCCCC1.
What is the InChIKey of 3-oxo-3-piperidin-1-ylpropanethioamide?
The InChIKey is FBMIKPMPNVWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c9-7(12)6-8(11)10-4-2-1-3-5-10/h1-6H2,(H2,9,12).
What are the key properties of 3-oxo-3-piperidin-1-ylpropanethioamide?
3-oxo-3-piperidin-1-ylpropanethioamide has a molecular weight of 186.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-piperidin-1-ylpropanethioamide is sourced from PubChem (CID 2771374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).