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

C8H13F3N2OS — CID 103795366

IUPAC(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCSC(F)(F)F)[C@H]1CCCN1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-4-13-7(14)6-2-1-3-12-6/h6,12H,1-5H2,(H,13,14)/t6-/m1/s1
InChIKeyGDFHPFMTCPUTNF-ZCFIWIBFSA-N
MW242.27 g/mol
LogP1.11
Rot. Bonds4

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

(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 103795366) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID103795366
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCSC(F)(F)F)[C@H]1CCCN1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-4-13-7(14)6-2-1-3-12-6/h6,12H,1-5H2,(H,13,14)/t6-/m1/s1
InChIKeyGDFHPFMTCPUTNF-ZCFIWIBFSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103950540
N-propylpyrrolidine-2-carboxamide
CID 4984185
methyl 2-[2-(pyrrolidine-2-carbonylamino)ethylsulfanyl]acetate
CID 119320156
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
5-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2-carboxamide
CID 106428188
N-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide (CID 103795366) is (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCSC(F)(F)F)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is GDFHPFMTCPUTNF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-4-13-7(14)6-2-1-3-12-6/h6,12H,1-5H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103795366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).