2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide

C8H16N2OS — CID 61406908

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCCCC1CO
InChIInChI=1S/C8H16N2OS/c9-8(12)5-10-4-2-1-3-7(10)6-11/h7,11H,1-6H2,(H2,9,12)
InChIKeyIUZNWPCUPVXREL-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.12
Rot. Bonds3

About 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide

2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide (PubChem CID 61406908) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide
PubChem CID61406908
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCCCC1CO
InChIInChI=1S/C8H16N2OS/c9-8(12)5-10-4-2-1-3-7(10)6-11/h7,11H,1-6H2,(H2,9,12)
InChIKeyIUZNWPCUPVXREL-UHFFFAOYSA-N
XLogP0.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.12
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-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide (CID 61406908) is 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide is NC(=S)CN1CCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide?
The InChIKey is IUZNWPCUPVXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c9-8(12)5-10-4-2-1-3-7(10)6-11/h7,11H,1-6H2,(H2,9,12).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide?
2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide has a molecular weight of 188.30 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]ethanethioamide is sourced from PubChem (CID 61406908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).