3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine

C15H20F3NS — CID 103786809

IUPAC3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NS/c1-10(19-13-6-7-14(9-13)20-2)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13-14,19H,6-7,9H2,1-2H3
InChIKeyDHWRRSPFJXAOIG-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.64
Rot. Bonds4

About 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine

3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine (PubChem CID 103786809) has the molecular formula C15H20F3NS and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
PubChem CID103786809
Molecular FormulaC15H20F3NS
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC Name3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NS/c1-10(19-13-6-7-14(9-13)20-2)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13-14,19H,6-7,9H2,1-2H3
InChIKeyDHWRRSPFJXAOIG-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 103561386
N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 103786748
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiolan-3-amine
CID 43223825
1,1-dioxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thian-4-amine
CID 43615085
(1S)-3-(4-methylsulfonylphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 90688734
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103711220
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine (CID 103786809) is 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine is CSC1CCC(NC(C)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The InChIKey is DHWRRSPFJXAOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NS/c1-10(19-13-6-7-14(9-13)20-2)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13-14,19H,6-7,9H2,1-2H3.
What are the key properties of 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine has a molecular weight of 303.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103786809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).