3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline

C11H15FN2S — CID 80661520

IUPAC3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline
SMILESNc1cc(F)cc(SC2CCCC2N)c1
InChIInChI=1S/C11H15FN2S/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(11)14/h4-6,10-11H,1-3,13-14H2
InChIKeyOHXRCGBHAMHKKP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.38
Rot. Bonds2

About 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline

3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline (PubChem CID 80661520) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline.

Molecular Properties

Compound Name3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline
PubChem CID80661520
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline
SMILESNc1cc(F)cc(SC2CCCC2N)c1
InChIInChI=1S/C11H15FN2S/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(11)14/h4-6,10-11H,1-3,13-14H2
InChIKeyOHXRCGBHAMHKKP-UHFFFAOYSA-N
XLogP2.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenamine, 3-(ethylthio)-
CID 74510
3-(Propylsulfanyl)aniline
CID 22227794
3-(Pentylsulfanyl)aniline
CID 292067
4-Fluoro-3-(fluoromethylsulfanyl)aniline
CID 19834502
4-[[2-(Dimethylamino)ethyl]thio]-3-fluorobenzenamine
CID 43303811
3-(3-Amino-5-fluorophenyl)sulfanyl-5-fluoroaniline
CID 54104178
3-Fluoro-5-(1-methyl-piperidin-4-ylsulfanyl)-phenylamine
CID 57893676
3-Fluoro-5-(methylthio)aniline
CID 61023848
3-(Fluoromethylsulfanyl)aniline
CID 70383205
3-[(2,2,2-Trifluoroethyl)sulfanyl]aniline
CID 79134332
3-(2-Fluoroethylsulfanyl)aniline
CID 80695733
3-Amino-4-fluorothioanisole
CID 83409852

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline?
The IUPAC name of 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline (CID 80661520) is 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline.
What is the SMILES notation for 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline?
The canonical SMILES for 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline is Nc1cc(F)cc(SC2CCCC2N)c1.
What is the InChIKey of 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline?
The InChIKey is OHXRCGBHAMHKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(11)14/h4-6,10-11H,1-3,13-14H2.
What are the key properties of 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline?
3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline has a molecular weight of 226.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclopentyl)sulfanyl-5-fluoroaniline is sourced from PubChem (CID 80661520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).