N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine

C10H18F3NS — CID 63120022

IUPACN-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCSCC1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)8-14-5-6-15-7-9-3-1-2-4-9/h9,14H,1-8H2
InChIKeyHIYIYILVGDTBNX-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 63120022) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID63120022
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCSCC1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)8-14-5-6-15-7-9-3-1-2-4-9/h9,14H,1-8H2
InChIKeyHIYIYILVGDTBNX-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine (CID 63120022) is N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCSCC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is HIYIYILVGDTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)8-14-5-6-15-7-9-3-1-2-4-9/h9,14H,1-8H2.
What are the key properties of N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 241.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 63120022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).