2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide

C10H17F3N2OS — CID 104859375

IUPAC2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCSC(F)(F)F)CCCN1
InChIInChI=1S/C10H17F3N2OS/c1-2-9(4-3-5-15-9)8(16)14-6-7-17-10(11,12)13/h15H,2-7H2,1H3,(H,14,16)
InChIKeyNGEKUSIJPULRBU-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.89
Rot. Bonds5

About 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide

2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 104859375) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID104859375
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCSC(F)(F)F)CCCN1
InChIInChI=1S/C10H17F3N2OS/c1-2-9(4-3-5-15-9)8(16)14-6-7-17-10(11,12)13/h15H,2-7H2,1H3,(H,14,16)
InChIKeyNGEKUSIJPULRBU-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.89
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 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide (CID 104859375) is 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCCSC(F)(F)F)CCCN1.
What is the InChIKey of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is NGEKUSIJPULRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-2-9(4-3-5-15-9)8(16)14-6-7-17-10(11,12)13/h15H,2-7H2,1H3,(H,14,16).
What are the key properties of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104859375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).