(2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine

C17H22N2S — CID 28624201

IUPAC(2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1ccc([C@@H](CNCc2ccsc2)N2CCCC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-6-16(7-3-1)17(19-9-4-5-10-19)13-18-12-15-8-11-20-14-15/h1-3,6-8,11,14,17-18H,4-5,9-10,12-13H2/t17-/m1/s1
InChIKeyYZWYXQPSHLRYFH-QGZVFWFLSA-N
MW286.44 g/mol
LogP3.67
Rot. Bonds6

About (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine

(2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 28624201) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID28624201
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1ccc([C@@H](CNCc2ccsc2)N2CCCC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-6-16(7-3-1)17(19-9-4-5-10-19)13-18-12-15-8-11-20-14-15/h1-3,6-8,11,14,17-18H,4-5,9-10,12-13H2/t17-/m1/s1
InChIKeyYZWYXQPSHLRYFH-QGZVFWFLSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine 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

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
CID 62764
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
Tifacogin
CID 961320
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964
1-(5-phenylthiophen-2-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
CID 168287528
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine (CID 28624201) is (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine is c1ccc([C@@H](CNCc2ccsc2)N2CCCC2)cc1.
What is the InChIKey of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is YZWYXQPSHLRYFH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-6-16(7-3-1)17(19-9-4-5-10-19)13-18-12-15-8-11-20-14-15/h1-3,6-8,11,14,17-18H,4-5,9-10,12-13H2/t17-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 286.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 28624201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).