1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide

C9H15F3N2S — CID 64555233

IUPAC1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide
SMILESNC(=S)C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2S/c10-9(11,12)3-5-14-4-1-2-7(6-14)8(13)15/h7H,1-6H2,(H2,13,15)
InChIKeyPAOQMPCRTUEOIT-UHFFFAOYSA-N
MW240.29 g/mol
LogP1.94
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide

1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide (PubChem CID 64555233) has the molecular formula C9H15F3N2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide
PubChem CID64555233
Molecular FormulaC9H15F3N2S
Molecular Weight240.29 g/mol
Exact Mass240.09
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide
SMILESNC(=S)C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2S/c10-9(11,12)3-5-14-4-1-2-7(6-14)8(13)15/h7H,1-6H2,(H2,13,15)
InChIKeyPAOQMPCRTUEOIT-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide 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 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide (CID 64555233) is 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide is NC(=S)C1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide?
The InChIKey is PAOQMPCRTUEOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2S/c10-9(11,12)3-5-14-4-1-2-7(6-14)8(13)15/h7H,1-6H2,(H2,13,15).
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide?
1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide has a molecular weight of 240.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine-3-carbothioamide is sourced from PubChem (CID 64555233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).