1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

C12H22F3N3S — CID 116616980

IUPAC1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(CCSC(F)(F)F)C2)CC1
InChIInChI=1S/C12H22F3N3S/c13-12(14,15)19-8-7-17-4-3-11(9-17)18-5-1-10(16)2-6-18/h10-11H,1-9,16H2
InChIKeyUYTUOZAQCPSCFT-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.74
Rot. Bonds4

About 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 116616980) has the molecular formula C12H22F3N3S and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID116616980
Molecular FormulaC12H22F3N3S
Molecular Weight297.39 g/mol
Exact Mass297.15
IUPAC Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(CCSC(F)(F)F)C2)CC1
InChIInChI=1S/C12H22F3N3S/c13-12(14,15)19-8-7-17-4-3-11(9-17)18-5-1-10(16)2-6-18/h10-11H,1-9,16H2
InChIKeyUYTUOZAQCPSCFT-UHFFFAOYSA-N
XLogP1.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
3,3,3-Trifluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63171587
4,4,4-Trifluoro-3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63172122
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
2-(2,6-Dimethylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
CID 64114890
1-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552969
1-[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553054
1-[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553129
N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80584187
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 82759852
1-(4-Methylsulfanylpyrrolidin-3-yl)-3-(trifluoromethyl)piperidine
CID 82760328
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(trifluoromethyl)piperidine
CID 82760338

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (CID 116616980) is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(CCSC(F)(F)F)C2)CC1.
What is the InChIKey of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is UYTUOZAQCPSCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3S/c13-12(14,15)19-8-7-17-4-3-11(9-17)18-5-1-10(16)2-6-18/h10-11H,1-9,16H2.
What are the key properties of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 297.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 116616980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).