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

C9H15F3N2OS — CID 103630028

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2OS/c10-9(11,12)16-6-5-14-8(15)7-1-3-13-4-2-7/h7,13H,1-6H2,(H,14,15)
InChIKeyXWBZLXNHJDPVIF-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.36
Rot. Bonds4

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

N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide (PubChem CID 103630028) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
PubChem CID103630028
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2OS/c10-9(11,12)16-6-5-14-8(15)7-1-3-13-4-2-7/h7,13H,1-6H2,(H,14,15)
InChIKeyXWBZLXNHJDPVIF-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.36
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 N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide (CID 103630028) is N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide is O=C(NCCSC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
The InChIKey is XWBZLXNHJDPVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c10-9(11,12)16-6-5-14-8(15)7-1-3-13-4-2-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide has a molecular weight of 256.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 103630028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).