N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine

C10H19FN2S — CID 105473228

IUPACN-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine
SMILESNC1CCC(F)(CNC2CCSC2)C1
InChIInChI=1S/C10H19FN2S/c11-10(3-1-8(12)5-10)7-13-9-2-4-14-6-9/h8-9,13H,1-7,12H2
InChIKeyUJHUUOCIPXDJCT-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.30
Rot. Bonds3

About N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine

N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine (PubChem CID 105473228) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine
PubChem CID105473228
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC NameN-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine
SMILESNC1CCC(F)(CNC2CCSC2)C1
InChIInChI=1S/C10H19FN2S/c11-10(3-1-8(12)5-10)7-13-9-2-4-14-6-9/h8-9,13H,1-7,12H2
InChIKeyUJHUUOCIPXDJCT-UHFFFAOYSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine 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 N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine (CID 105473228) is N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine is NC1CCC(F)(CNC2CCSC2)C1.
What is the InChIKey of N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine?
The InChIKey is UJHUUOCIPXDJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(3-1-8(12)5-10)7-13-9-2-4-14-6-9/h8-9,13H,1-7,12H2.
What are the key properties of N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine?
N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine has a molecular weight of 218.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine is sourced from PubChem (CID 105473228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).