(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine

C17H25N3OS — CID 95774005

IUPAC(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESC[C@H]1CN([C@@H](CNCc2cccn2C)c2cccs2)CCO1
InChIInChI=1S/C17H25N3OS/c1-14-13-20(8-9-21-14)16(17-6-4-10-22-17)12-18-11-15-5-3-7-19(15)2/h3-7,10,14,16,18H,8-9,11-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyQGDRBEQAGFTCGL-HOCLYGCPSA-N
MW319.47 g/mol
LogP2.64
Rot. Bonds6

About (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine

(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 95774005) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID95774005
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESC[C@H]1CN([C@@H](CNCc2cccn2C)c2cccs2)CCO1
InChIInChI=1S/C17H25N3OS/c1-14-13-20(8-9-21-14)16(17-6-4-10-22-17)12-18-11-15-5-3-7-19(15)2/h3-7,10,14,16,18H,8-9,11-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyQGDRBEQAGFTCGL-HOCLYGCPSA-N
XLogP2.64
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylmorpholin-4-yl)-N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 119155808
N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 95767303
4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
CID 98768142
4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 95773118
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
CID 122132155
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111966339
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111965941
N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110033391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine (CID 95774005) is (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine is C[C@H]1CN([C@@H](CNCc2cccn2C)c2cccs2)CCO1.
What is the InChIKey of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is QGDRBEQAGFTCGL-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-14-13-20(8-9-21-14)16(17-6-4-10-22-17)12-18-11-15-5-3-7-19(15)2/h3-7,10,14,16,18H,8-9,11-13H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 319.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 95774005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).