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

C11H19F3N2OS — CID 106428326

IUPAC2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCSC(F)(F)F)CCCN1
InChIInChI=1S/C11H19F3N2OS/c1-2-4-10(5-3-6-16-10)9(17)15-7-8-18-11(12,13)14/h16H,2-8H2,1H3,(H,15,17)
InChIKeyDCUZXASMCDQTFP-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.28
Rot. Bonds6

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

2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 106428326) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID106428326
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCSC(F)(F)F)CCCN1
InChIInChI=1S/C11H19F3N2OS/c1-2-4-10(5-3-6-16-10)9(17)15-7-8-18-11(12,13)14/h16H,2-8H2,1H3,(H,15,17)
InChIKeyDCUZXASMCDQTFP-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.28
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-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide (CID 106428326) is 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide is CCCC1(C(=O)NCCSC(F)(F)F)CCCN1.
What is the InChIKey of 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DCUZXASMCDQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-2-4-10(5-3-6-16-10)9(17)15-7-8-18-11(12,13)14/h16H,2-8H2,1H3,(H,15,17).
What are the key properties of 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106428326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).