N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

C11H21F3N2S — CID 106429808

IUPACN-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2S/c1-9(2)15-7-10-3-4-16(8-10)5-6-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyWWZLTUCUGGVARO-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.56
Rot. Bonds6

About N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 106429808) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID106429808
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2S/c1-9(2)15-7-10-3-4-16(8-10)5-6-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyWWZLTUCUGGVARO-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61893828
1-[3-[(2,2-Difluoroethylamino)methyl]pyrrolidin-1-yl]ethanethiol
CID 146382590
3,3-difluoro-1-methylpyrrolidine;ethane;N-methylthietan-3-amine
CID 153371148
4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 54927167
3-methylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 54927208
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54927241
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
CID 60854965
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
CID 60855804
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 60856628
2,2,2-trifluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61895044
N-(pyrrolidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62370891

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 106429808) is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is WWZLTUCUGGVARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-9(2)15-7-10-3-4-16(8-10)5-6-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 270.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106429808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).