N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine

C11H21F3N2S — CID 116616238

IUPACN-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-2-15-9-10-5-3-4-6-16(10)7-8-17-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyFHPMMDQRHVPAEJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.70
Rot. Bonds6

About N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine

N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 116616238) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine
PubChem CID116616238
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C11H21F3N2S/c1-2-15-9-10-5-3-4-6-16(10)7-8-17-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyFHPMMDQRHVPAEJ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine (CID 116616238) is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1CCSC(F)(F)F.
What is the InChIKey of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is FHPMMDQRHVPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-2-15-9-10-5-3-4-6-16(10)7-8-17-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.70, 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]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 116616238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).