[3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine

C15H22FN3S — CID 60918155

IUPAC[3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(c3ccccc3F)CC2)CCSC1
InChIInChI=1S/C15H22FN3S/c16-13-3-1-2-4-14(13)18-6-8-19(9-7-18)15(11-17)5-10-20-12-15/h1-4H,5-12,17H2
InChIKeyAMFZTVZDXWWRQP-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.78
Rot. Bonds3

About [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine

[3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine (PubChem CID 60918155) has the molecular formula C15H22FN3S and a molecular weight of 295.43 g/mol. Its IUPAC name is [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine
PubChem CID60918155
Molecular FormulaC15H22FN3S
Molecular Weight295.43 g/mol
Exact Mass295.15
IUPAC Name[3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(c3ccccc3F)CC2)CCSC1
InChIInChI=1S/C15H22FN3S/c16-13-3-1-2-4-14(13)18-6-8-19(9-7-18)15(11-17)5-10-20-12-15/h1-4H,5-12,17H2
InChIKeyAMFZTVZDXWWRQP-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine 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 [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine (CID 60918155) is [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine.
What is the SMILES notation for [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The canonical SMILES for [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine is NCC1(N2CCN(c3ccccc3F)CC2)CCSC1.
What is the InChIKey of [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The InChIKey is AMFZTVZDXWWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3S/c16-13-3-1-2-4-14(13)18-6-8-19(9-7-18)15(11-17)5-10-20-12-15/h1-4H,5-12,17H2.
What are the key properties of [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
[3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine is sourced from PubChem (CID 60918155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).