3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide

C10H20N2O2S — CID 2958982

IUPAC3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide
SMILESCOCCNC(=S)N1CCCC(CO)C1
InChIInChI=1S/C10H20N2O2S/c1-14-6-4-11-10(15)12-5-2-3-9(7-12)8-13/h9,13H,2-8H2,1H3,(H,11,15)
InChIKeyPAZHVDDTZOCGFH-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.21
Rot. Bonds4

About 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide

3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide (PubChem CID 2958982) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide
PubChem CID2958982
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide
SMILESCOCCNC(=S)N1CCCC(CO)C1
InChIInChI=1S/C10H20N2O2S/c1-14-6-4-11-10(15)12-5-2-3-9(7-12)8-13/h9,13H,2-8H2,1H3,(H,11,15)
InChIKeyPAZHVDDTZOCGFH-UHFFFAOYSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide (CID 2958982) is 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide is COCCNC(=S)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide?
The InChIKey is PAZHVDDTZOCGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-14-6-4-11-10(15)12-5-2-3-9(7-12)8-13/h9,13H,2-8H2,1H3,(H,11,15).
What are the key properties of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide?
3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide has a molecular weight of 232.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 2958982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).