[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine

C10H15FN2S — CID 119030850

IUPAC[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1Cc1cccs1
InChIInChI=1S/C10H15FN2S/c11-8-4-9(5-12)13(6-8)7-10-2-1-3-14-10/h1-3,8-9H,4-7,12H2/t8-,9-/m0/s1
InChIKeyOWUQEEHZKUTZSJ-IUCAKERBSA-N
MW214.31 g/mol
LogP1.62
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine

[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 119030850) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID119030850
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1Cc1cccs1
InChIInChI=1S/C10H15FN2S/c11-8-4-9(5-12)13(6-8)7-10-2-1-3-14-10/h1-3,8-9H,4-7,12H2/t8-,9-/m0/s1
InChIKeyOWUQEEHZKUTZSJ-IUCAKERBSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-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 [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine (CID 119030850) is [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@H](F)CN1Cc1cccs1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is OWUQEEHZKUTZSJ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H15FN2S/c11-8-4-9(5-12)13(6-8)7-10-2-1-3-14-10/h1-3,8-9H,4-7,12H2/t8-,9-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119030850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).