3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

C10H17F3N2OS — CID 113225959

IUPAC3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCSC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2OS/c1-8-3-2-5-15(7-8)9(16)14-4-6-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyOUFQCEIAAFHMSY-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.68
Rot. Bonds3

About 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (PubChem CID 113225959) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
PubChem CID113225959
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCSC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2OS/c1-8-3-2-5-15(7-8)9(16)14-4-6-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyOUFQCEIAAFHMSY-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (CID 113225959) is 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is CC1CCCN(C(=O)NCCSC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The InChIKey is OUFQCEIAAFHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-8-3-2-5-15(7-8)9(16)14-4-6-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 113225959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).