2-(4-hydroxypiperidin-1-yl)ethanethioamide

C7H14N2OS — CID 24708280

IUPAC2-(4-hydroxypiperidin-1-yl)ethanethioamide
SMILESNC(=S)CN1CCC(O)CC1
InChIInChI=1S/C7H14N2OS/c8-7(11)5-9-3-1-6(10)2-4-9/h6,10H,1-5H2,(H2,8,11)
InChIKeyNWAVYBQBTNHDJG-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.27
Rot. Bonds2

About 2-(4-hydroxypiperidin-1-yl)ethanethioamide

2-(4-hydroxypiperidin-1-yl)ethanethioamide (PubChem CID 24708280) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)ethanethioamide
PubChem CID24708280
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-(4-hydroxypiperidin-1-yl)ethanethioamide
SMILESNC(=S)CN1CCC(O)CC1
InChIInChI=1S/C7H14N2OS/c8-7(11)5-9-3-1-6(10)2-4-9/h6,10H,1-5H2,(H2,8,11)
InChIKeyNWAVYBQBTNHDJG-UHFFFAOYSA-N
XLogP-0.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(4-hydroxypiperidin-1-yl)ethanethioamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)ethanethioamide (CID 24708280) is 2-(4-hydroxypiperidin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)ethanethioamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)ethanethioamide is NC(=S)CN1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)ethanethioamide?
The InChIKey is NWAVYBQBTNHDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c8-7(11)5-9-3-1-6(10)2-4-9/h6,10H,1-5H2,(H2,8,11).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)ethanethioamide?
2-(4-hydroxypiperidin-1-yl)ethanethioamide has a molecular weight of 174.27 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)ethanethioamide is sourced from PubChem (CID 24708280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).