[2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol

C9H16F3NOS — CID 106361013

IUPAC[2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCCSC(F)(F)F
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-5-4-13-8-3-1-2-7(8)6-14/h7-8,13-14H,1-6H2
InChIKeyUQFUSOYOIOGKPC-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.99
Rot. Bonds5

About [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol

[2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol (PubChem CID 106361013) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
PubChem CID106361013
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name[2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCCSC(F)(F)F
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-5-4-13-8-3-1-2-7(8)6-14/h7-8,13-14H,1-6H2
InChIKeyUQFUSOYOIOGKPC-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol 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 [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
The IUPAC name of [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol (CID 106361013) is [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol is OCC1CCCC1NCCSC(F)(F)F.
What is the InChIKey of [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
The InChIKey is UQFUSOYOIOGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c10-9(11,12)15-5-4-13-8-3-1-2-7(8)6-14/h7-8,13-14H,1-6H2.
What are the key properties of [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
[2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol has a molecular weight of 243.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 106361013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).