[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine

C9H16F3NS — CID 116617690

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NS/c10-9(11,12)14-6-5-8(7-13)3-1-2-4-8/h1-7,13H2
InChIKeyADCPIONYQKLFOW-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.15
Rot. Bonds4

About [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine

[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine (PubChem CID 116617690) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
PubChem CID116617690
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NS/c10-9(11,12)14-6-5-8(7-13)3-1-2-4-8/h1-7,13H2
InChIKeyADCPIONYQKLFOW-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 113544164
1-Cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116616716
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617689
2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617691
2-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617693
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116617723
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine
CID 116617724
2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617736
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
CID 116617783
2-Cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617932
4,4-Dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627259
3-Methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627272

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine (CID 116617690) is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine is NCC1(CCSC(F)(F)F)CCCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The InChIKey is ADCPIONYQKLFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c10-9(11,12)14-6-5-8(7-13)3-1-2-4-8/h1-7,13H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine has a molecular weight of 227.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine is sourced from PubChem (CID 116617690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).