2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide

C18H28N2OS — CID 2959562

IUPAC2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N1CCCCC1
InChIInChI=1S/C18H28N2OS/c21-16(19-17(22)20-4-2-1-3-5-20)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,1-12H2,(H,19,21,22)
InChIKeyOKHUCXYQTOVDHM-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.48
Rot. Bonds2

About 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide

2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide (PubChem CID 2959562) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide
PubChem CID2959562
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N1CCCCC1
InChIInChI=1S/C18H28N2OS/c21-16(19-17(22)20-4-2-1-3-5-20)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,1-12H2,(H,19,21,22)
InChIKeyOKHUCXYQTOVDHM-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide (CID 2959562) is 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N1CCCCC1.
What is the InChIKey of 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide?
The InChIKey is OKHUCXYQTOVDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c21-16(19-17(22)20-4-2-1-3-5-20)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,1-12H2,(H,19,21,22).
What are the key properties of 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide?
2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide has a molecular weight of 320.50 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(piperidine-1-carbothioyl)acetamide is sourced from PubChem (CID 2959562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).