3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

C10H18F3NS — CID 103698656

IUPAC3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-2-8-3-4-9(7-8)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyMJNOWQJGEIIILF-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds5

About 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 103698656) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID103698656
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-2-8-3-4-9(7-8)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyMJNOWQJGEIIILF-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 64499937
(1R,3S)-3-ethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 70643219
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
N-ethyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)cyclopentan-1-amine
CID 156058190
2-[[3-[2-[[(3,3-Difluorocyclobutyl)amino]methylsulfanyl]propyl]cyclopentyl]amino]propane-2-thiol
CID 166714677
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
3-ethyl-N-(3,3,3-trifluoropropyl)cyclopentan-1-amine
CID 64499260
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (CID 103698656) is 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is CCC1CCC(NCCSC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is MJNOWQJGEIIILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-8-3-4-9(7-8)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103698656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).