3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide

C12H24N2OS — CID 43367747

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide
SMILESCCC(CC(N)=S)N1CCCCC1CCO
InChIInChI=1S/C12H24N2OS/c1-2-10(9-12(13)16)14-7-4-3-5-11(14)6-8-15/h10-11,15H,2-9H2,1H3,(H2,13,16)
InChIKeyAAOKJSIONMEUET-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.68
Rot. Bonds6

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide

3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide (PubChem CID 43367747) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide
PubChem CID43367747
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide
SMILESCCC(CC(N)=S)N1CCCCC1CCO
InChIInChI=1S/C12H24N2OS/c1-2-10(9-12(13)16)14-7-4-3-5-11(14)6-8-15/h10-11,15H,2-9H2,1H3,(H2,13,16)
InChIKeyAAOKJSIONMEUET-UHFFFAOYSA-N
XLogP1.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanethioamide
CID 103368500
2-[1-(3-Aminopropyl)piperidin-2-yl]ethanol
CID 16792426
2-[1-[3-(Dimethylamino)propyl]piperidin-2-yl]ethanol
CID 18789459
3-(4-Aminopiperidin-1-yl)hexan-1-ol
CID 149022069
2-(4-Amino-1-methylpiperidin-2-yl)ethanol
CID 166736609
2-(2-Hydroxyethyl)piperidine-1-carbothioamide
CID 16795330
2-[1-(4-Aminobutyl)piperidin-2-yl]ethanol
CID 20112972
2-[2-(2-Hydroxyethyl)piperidin-1-yl]ethanethioamide
CID 24692018
3-[2-(2-Hydroxyethyl)piperidin-1-yl]propanethioamide
CID 24700663
4-[2-(2-Hydroxyethyl)piperidin-1-yl]butanethioamide
CID 24703235
2-[1-(1-Aminopentan-3-yl)piperidin-2-yl]ethanol
CID 43174927
N-(3-amino-3-sulfanylidenepropyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
CID 43290438

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide (CID 43367747) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide is CCC(CC(N)=S)N1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide?
The InChIKey is AAOKJSIONMEUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-2-10(9-12(13)16)14-7-4-3-5-11(14)6-8-15/h10-11,15H,2-9H2,1H3,(H2,13,16).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide?
3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide has a molecular weight of 244.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanethioamide is sourced from PubChem (CID 43367747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).