[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone

C17H19FN2OS — CID 124696499

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
SMILESCc1sc(C(=O)N2CCC[C@@H]2CN)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-11-15(12-4-6-13(18)7-5-12)9-16(22-11)17(21)20-8-2-3-14(20)10-19/h4-7,9,14H,2-3,8,10,19H2,1H3/t14-/m1/s1
InChIKeyGRWWORHLWQTKJI-CQSZACIVSA-N
MW318.42 g/mol
LogP3.43
Rot. Bonds3

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone (PubChem CID 124696499) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
PubChem CID124696499
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
SMILESCc1sc(C(=O)N2CCC[C@@H]2CN)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-11-15(12-4-6-13(18)7-5-12)9-16(22-11)17(21)20-8-2-3-14(20)10-19/h4-7,9,14H,2-3,8,10,19H2,1H3/t14-/m1/s1
InChIKeyGRWWORHLWQTKJI-CQSZACIVSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124694495
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124690018
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493991
N-(2-aminoethyl)-1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482473
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633332
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
[2-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119631136

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone (CID 124696499) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone is Cc1sc(C(=O)N2CCC[C@@H]2CN)cc1-c1ccc(F)cc1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
The InChIKey is GRWWORHLWQTKJI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-11-15(12-4-6-13(18)7-5-12)9-16(22-11)17(21)20-8-2-3-14(20)10-19/h4-7,9,14H,2-3,8,10,19H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone is sourced from PubChem (CID 124696499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).