(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine

C17H23N3OS — CID 95751301

IUPAC(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1ccc([C@H](CNCc2ccncc2)N2CCOCC2)s1
InChIInChI=1S/C17H23N3OS/c1-14-2-3-17(22-14)16(20-8-10-21-11-9-20)13-19-12-15-4-6-18-7-5-15/h2-7,16,19H,8-13H2,1H3/t16-/m0/s1
InChIKeyAXZQUWQSXYNNHD-INIZCTEOSA-N
MW317.46 g/mol
LogP2.61
Rot. Bonds6

About (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine

(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 95751301) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID95751301
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1ccc([C@H](CNCc2ccncc2)N2CCOCC2)s1
InChIInChI=1S/C17H23N3OS/c1-14-2-3-17(22-14)16(20-8-10-21-11-9-20)13-19-12-15-4-6-18-7-5-15/h2-7,16,19H,8-13H2,1H3/t16-/m0/s1
InChIKeyAXZQUWQSXYNNHD-INIZCTEOSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-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-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 154805489
2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111966221
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 119127575
1-benzyl-2-methyl-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111965898
N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 86903292
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111721914
6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 133460472
2-(2-methylpropyl)-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111721957
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylpropanamide
CID 75424213
(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97071497
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)guanidine
CID 111966051
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 86898790

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine (CID 95751301) is (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine is Cc1ccc([C@H](CNCc2ccncc2)N2CCOCC2)s1.
What is the InChIKey of (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is AXZQUWQSXYNNHD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-14-2-3-17(22-14)16(20-8-10-21-11-9-20)13-19-12-15-4-6-18-7-5-15/h2-7,16,19H,8-13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 317.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 95751301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).