N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C11H13F3N2S — CID 106430862

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESFC(F)(F)SCCNc1ccc2c(n1)CCC2
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)17-7-6-15-10-5-4-8-2-1-3-9(8)16-10/h4-5H,1-3,6-7H2,(H,15,16)
InChIKeyXIMYSNYEDFKUKD-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 106430862) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID106430862
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESFC(F)(F)SCCNc1ccc2c(n1)CCC2
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)17-7-6-15-10-5-4-8-2-1-3-9(8)16-10/h4-5H,1-3,6-7H2,(H,15,16)
InChIKeyXIMYSNYEDFKUKD-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 106430862) is N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is FC(F)(F)SCCNc1ccc2c(n1)CCC2.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is XIMYSNYEDFKUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c12-11(13,14)17-7-6-15-10-5-4-8-2-1-3-9(8)16-10/h4-5H,1-3,6-7H2,(H,15,16).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 262.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 106430862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).