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

C10H17F3N2OS — CID 91641744

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-8-4-2-3-6-15(8)9(16)14-5-7-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyQYLPJWUWDZCSAF-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.82
Rot. Bonds3

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

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (PubChem CID 91641744) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
PubChem CID91641744
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-8-4-2-3-6-15(8)9(16)14-5-7-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyQYLPJWUWDZCSAF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (CID 91641744) is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is CC1CCCCN1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The InChIKey is QYLPJWUWDZCSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-8-4-2-3-6-15(8)9(16)14-5-7-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91641744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).