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

C9H17F3N2S — CID 116616993

IUPAC[5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CCSC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-7-4-8(5-13)6-14(7)2-3-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyFNNAAZMCSBWARC-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.91
Rot. Bonds4

About [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine

[5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 116616993) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID116616993
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name[5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CCSC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-7-4-8(5-13)6-14(7)2-3-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyFNNAAZMCSBWARC-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine (CID 116616993) is [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine is CC1CC(CN)CN1CCSC(F)(F)F.
What is the InChIKey of [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is FNNAAZMCSBWARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-7-4-8(5-13)6-14(7)2-3-15-9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine?
[5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 242.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 116616993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).