3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide

C15H19F3N2S — CID 19654078

IUPAC3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
SMILESCC1CC(C)CN(C(=S)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2S/c1-10-6-11(2)9-20(8-10)14(21)19-13-5-3-4-12(7-13)15(16,17)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,19,21)
InChIKeySAEMJVBXDNWPNM-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.38
Rot. Bonds1

About 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide

3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide (PubChem CID 19654078) has the molecular formula C15H19F3N2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
PubChem CID19654078
Molecular FormulaC15H19F3N2S
Molecular Weight316.39 g/mol
Exact Mass316.12
IUPAC Name3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
SMILESCC1CC(C)CN(C(=S)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2S/c1-10-6-11(2)9-20(8-10)14(21)19-13-5-3-4-12(7-13)15(16,17)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,19,21)
InChIKeySAEMJVBXDNWPNM-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 100736490
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 29056312
N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
CID 134118268
6-oxo-N-[3-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
CID 3698056
N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 3038368
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3456323
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
2-ethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carbothioamide
CID 21320189
N-(3-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 8615611
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092
4-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 19654664
2-(3-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140438

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
The IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide (CID 19654078) is 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide is CC1CC(C)CN(C(=S)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
The InChIKey is SAEMJVBXDNWPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2S/c1-10-6-11(2)9-20(8-10)14(21)19-13-5-3-4-12(7-13)15(16,17)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide has a molecular weight of 316.39 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide is sourced from PubChem (CID 19654078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).