2-(4-fluorophenyl)sulfanylcyclobutan-1-amine

C10H12FNS — CID 134203401

IUPAC2-(4-fluorophenyl)sulfanylcyclobutan-1-amine
SMILESNC1CCC1Sc1ccc(F)cc1
InChIInChI=1S/C10H12FNS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,9-10H,5-6,12H2
InChIKeyJMUQEOYQYQRHAY-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine

2-(4-fluorophenyl)sulfanylcyclobutan-1-amine (PubChem CID 134203401) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylcyclobutan-1-amine
PubChem CID134203401
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name2-(4-fluorophenyl)sulfanylcyclobutan-1-amine
SMILESNC1CCC1Sc1ccc(F)cc1
InChIInChI=1S/C10H12FNS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,9-10H,5-6,12H2
InChIKeyJMUQEOYQYQRHAY-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine 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

Phenyl-2-aminoethyl sulfide
CID 37013
Phenylthiopropylamine
CID 150958
Ethanamine, 2-(phenylthio)-, hydrochloride
CID 37012
(2R)-1-phenylsulfanylpropan-2-amine;hydrochloride
CID 13628023
4-(Phenylthio)butan-1-amine
CID 14708924
5-(Phenylthio)pentan-1-amine
CID 15227684
2-(Phenylsulfanyl)propan-1-amine
CID 21504222
(2S)-1-phenylsulfanylpropan-2-amine;hydrochloride
CID 13628024
1-(Phenylthio)-2-aminopropane
CID 150957
2-Phenylsulfanylethanamine;dihydrochloride
CID 45265183
trans-2-Phenylthiocyclohexylamine
CID 13403702
4-Phenylthiobut-2-ylamine
CID 15889487

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine (CID 134203401) is 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine is NC1CCC1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine?
The InChIKey is JMUQEOYQYQRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,9-10H,5-6,12H2.
What are the key properties of 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine?
2-(4-fluorophenyl)sulfanylcyclobutan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylcyclobutan-1-amine is sourced from PubChem (CID 134203401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).