[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine

C8H15F3N2S — CID 116616921

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)14-4-3-13-2-1-7(5-12)6-13/h7H,1-6,12H2
InChIKeyMZZUFFLDNPXESL-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.52
Rot. Bonds4

About [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine

[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 116616921) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID116616921
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)14-4-3-13-2-1-7(5-12)6-13/h7H,1-6,12H2
InChIKeyMZZUFFLDNPXESL-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616919
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616937
2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid
CID 116616826
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
CID 115028625
[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 103034833
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621
ethyl (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-3-carboxylate
CID 104891378
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine
CID 62977792

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine (CID 116616921) is [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine is NCC1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is MZZUFFLDNPXESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c9-8(10,11)14-4-3-13-2-1-7(5-12)6-13/h7H,1-6,12H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 228.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 116616921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).