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

C10H18F3NS — CID 104891284

IUPAC(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC[C@H](NCCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NS/c1-8(9-4-2-3-5-9)14-6-7-15-10(11,12)13/h8-9,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyNMUYFXTVXOGXED-QMMMGPOBSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds5

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

(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 104891284) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID104891284
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC[C@H](NCCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NS/c1-8(9-4-2-3-5-9)14-6-7-15-10(11,12)13/h8-9,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyNMUYFXTVXOGXED-QMMMGPOBSA-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

(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
CID 81384504
N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 115710731
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-[(1S)-1-cyclopentylethyl]-3-methylsulfanylpropan-1-amine
CID 81385548
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
CID 81387495

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 104891284) is (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is C[C@H](NCCSC(F)(F)F)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is NMUYFXTVXOGXED-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-8(9-4-2-3-5-9)14-6-7-15-10(11,12)13/h8-9,14H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine 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 (1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 104891284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).