N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine

C14H19F2NS — CID 62577788

IUPACN-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Sc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NS/c1-10(9-17-12-4-2-3-5-12)18-14-7-6-11(15)8-13(14)16/h6-8,10,12,17H,2-5,9H2,1H3
InChIKeyQXFJDNHVGACTNP-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.98
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine

N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine (PubChem CID 62577788) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
PubChem CID62577788
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Sc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NS/c1-10(9-17-12-4-2-3-5-12)18-14-7-6-11(15)8-13(14)16/h6-8,10,12,17H,2-5,9H2,1H3
InChIKeyQXFJDNHVGACTNP-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine
CID 55194771
N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
CID 62576350
N-[2-(2,4-difluorophenyl)sulfanylpropyl]butan-2-amine
CID 55092288
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975280
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[2-(2-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62578432
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine?
The IUPAC name of N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine (CID 62577788) is N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine is CC(CNC1CCCC1)Sc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine?
The InChIKey is QXFJDNHVGACTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-10(9-17-12-4-2-3-5-12)18-14-7-6-11(15)8-13(14)16/h6-8,10,12,17H,2-5,9H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine?
N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine has a molecular weight of 271.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine is sourced from PubChem (CID 62577788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).