piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone

C12H20F3N3OS — CID 116616916

IUPACpiperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1CCSC(F)(F)F)N1CCNCC1
InChIInChI=1S/C12H20F3N3OS/c13-12(14,15)20-9-8-17-5-1-2-10(17)11(19)18-6-3-16-4-7-18/h10,16H,1-9H2
InChIKeyBIYDGNGATMDFKD-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.14
Rot. Bonds4

About piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone

piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone (PubChem CID 116616916) has the molecular formula C12H20F3N3OS and a molecular weight of 311.37 g/mol. Its IUPAC name is piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone
PubChem CID116616916
Molecular FormulaC12H20F3N3OS
Molecular Weight311.37 g/mol
Exact Mass311.13
IUPAC Namepiperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1CCSC(F)(F)F)N1CCNCC1
InChIInChI=1S/C12H20F3N3OS/c13-12(14,15)20-9-8-17-5-1-2-10(17)11(19)18-6-3-16-4-7-18/h10,16H,1-9H2
InChIKeyBIYDGNGATMDFKD-UHFFFAOYSA-N
XLogP1.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone 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)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
((2S,4S)-4-(piperidin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439325
Cyclo(-Met-Pro)
CID 6502027
Cyclo-Met-Pro-diketopiperazine
CID 6428989
(3R,8aR)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325718
4-(Pyrrolidine-2-carbonyl)thiomorpholine hydrochloride
CID 77137474
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
CID 38441371
2-(thiomorpholine-4-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 72042140
(2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 91660808
N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 128159632
(4-Fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 18179755
Pyrrolidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60717885

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone (CID 116616916) is piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone is O=C(C1CCCN1CCSC(F)(F)F)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone?
The InChIKey is BIYDGNGATMDFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3OS/c13-12(14,15)20-9-8-17-5-1-2-10(17)11(19)18-6-3-16-4-7-18/h10,16H,1-9H2.
What are the key properties of piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone?
piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone has a molecular weight of 311.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 116616916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).