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

C11H20F3NS — CID 116617724

IUPACN-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NS/c1-2-15-9-10(5-3-4-6-10)7-8-16-11(12,13)14/h15H,2-9H2,1H3
InChIKeyRGWXYYFKMQQRMF-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.80
Rot. Bonds6

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

N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine (PubChem CID 116617724) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine
PubChem CID116617724
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NS/c1-2-15-9-10(5-3-4-6-10)7-8-16-11(12,13)14/h15H,2-9H2,1H3
InChIKeyRGWXYYFKMQQRMF-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103698656
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103778164
3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 104531021
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156297
4,4,4-trifluoro-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105156482
N-[(1-methylcyclohexyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105653759
N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105695397
N-[(1-ethylcyclobutyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105754056

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine (CID 116617724) is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine is CCNCC1(CCSC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine?
The InChIKey is RGWXYYFKMQQRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-2-15-9-10(5-3-4-6-10)7-8-16-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine?
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine has a molecular weight of 255.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 116617724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).