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

C11H17FN2S — CID 119030851

IUPAC1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H](F)CN1Cc1cccs1
InChIInChI=1S/C11H17FN2S/c1-13-6-10-5-9(12)7-14(10)8-11-3-2-4-15-11/h2-4,9-10,13H,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyLZSOOHQKHRQAII-UWVGGRQHSA-N
MW228.34 g/mol
LogP1.88
Rot. Bonds4

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

1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 119030851) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID119030851
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H](F)CN1Cc1cccs1
InChIInChI=1S/C11H17FN2S/c1-13-6-10-5-9(12)7-14(10)8-11-3-2-4-15-11/h2-4,9-10,13H,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyLZSOOHQKHRQAII-UWVGGRQHSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine 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

N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxycyclohexan-1-amine
CID 128990772
(3S)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]oxan-3-amine
CID 129330295
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129006478
5-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 122055535
1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 122360340
N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62343135
1-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-3-(2-imidazol-1-ylethyl)urea
CID 128991026
5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120905352
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 128972408
[3-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 128974310
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 128973042
N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
CID 83100391

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine (CID 119030851) is 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine is CNC[C@@H]1C[C@H](F)CN1Cc1cccs1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is LZSOOHQKHRQAII-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-13-6-10-5-9(12)7-14(10)8-11-3-2-4-15-11/h2-4,9-10,13H,5-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 228.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 119030851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).