2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine

C13H17ClFNOS — CID 104754848

IUPAC2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine
SMILESNC(CS(=O)c1ccc(F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H17ClFNOS/c14-11-7-10(5-6-12(11)15)18(17)8-13(16)9-3-1-2-4-9/h5-7,9,13H,1-4,8,16H2
InChIKeyKUFIFYHTTFLTJN-UHFFFAOYSA-N
MW289.80 g/mol
LogP3.10
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine

2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine (PubChem CID 104754848) has the molecular formula C13H17ClFNOS and a molecular weight of 289.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine
PubChem CID104754848
Molecular FormulaC13H17ClFNOS
Molecular Weight289.80 g/mol
Exact Mass289.07
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine
SMILESNC(CS(=O)c1ccc(F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H17ClFNOS/c14-11-7-10(5-6-12(11)15)18(17)8-13(16)9-3-1-2-4-9/h5-7,9,13H,1-4,8,16H2
InChIKeyKUFIFYHTTFLTJN-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine 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-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine (CID 104754848) is 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine is NC(CS(=O)c1ccc(F)c(Cl)c1)C1CCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine?
The InChIKey is KUFIFYHTTFLTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNOS/c14-11-7-10(5-6-12(11)15)18(17)8-13(16)9-3-1-2-4-9/h5-7,9,13H,1-4,8,16H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine?
2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine has a molecular weight of 289.80 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine is sourced from PubChem (CID 104754848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).