N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

C9H17F3N2S — CID 106614022

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN(CCSC(F)(F)F)CC1CCCN1
InChIInChI=1S/C9H17F3N2S/c1-14(5-6-15-9(10,11)12)7-8-3-2-4-13-8/h8,13H,2-7H2,1H3
InChIKeyPCLRFQHYUYPQHU-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 106614022) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID106614022
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN(CCSC(F)(F)F)CC1CCCN1
InChIInChI=1S/C9H17F3N2S/c1-14(5-6-15-9(10,11)12)7-8-3-2-4-13-8/h8,13H,2-7H2,1H3
InChIKeyPCLRFQHYUYPQHU-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 155289081
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
4,4-Difluoro-2-(methylsulfanylmethyl)pyrrolidine
CID 105433517
N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine
CID 122693612
1-[(2S)-pyrrolidin-2-yl]-N-(2,2,2-trifluoroethylsulfanyl)methanamine
CID 143059789
3,3-difluoro-1-methylpyrrolidine;ethane;N-methylthietan-3-amine
CID 153371148
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine;ethane
CID 156727535
N-[2-(4,4-difluoro-1,2-thiazolidin-3-yl)ethyl]-N-methylpropan-2-amine
CID 169858804
(2S)-2-[[ethyl(trifluoromethyl)amino]methyl]pyrrolidine-3-thiol
CID 169861189
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-N-methylpropan-2-amine
CID 172334269
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-methylpropan-2-amine
CID 172334301
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-3-thione
CID 172334333

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (CID 106614022) is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is CN(CCSC(F)(F)F)CC1CCCN1.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is PCLRFQHYUYPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-14(5-6-15-9(10,11)12)7-8-3-2-4-13-8/h8,13H,2-7H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 242.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 106614022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).