4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide

C10H17F3N2OS — CID 106428186

IUPAC4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCSC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2OS/c1-7-2-3-14-8(6-7)9(16)15-4-5-17-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyIJEWFJFZEUPDOO-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.74
Rot. Bonds4

About 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide

4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide (PubChem CID 106428186) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide
PubChem CID106428186
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCSC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2OS/c1-7-2-3-14-8(6-7)9(16)15-4-5-17-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyIJEWFJFZEUPDOO-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide (CID 106428186) is 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide is CC1CCNC(C(=O)NCCSC(F)(F)F)C1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
The InChIKey is IJEWFJFZEUPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-7-2-3-14-8(6-7)9(16)15-4-5-17-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 106428186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).