2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride

C13H21ClN2O3S — CID 119757336

IUPAC2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCOC(c2cccs2)C1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-17-6-4-14-9-13(16)15-5-7-18-11(10-15)12-3-2-8-19-12;/h2-3,8,11,14H,4-7,9-10H2,1H3;1H
InChIKeyROFKIZIFSJRIEW-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.31
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride

2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride (PubChem CID 119757336) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
PubChem CID119757336
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCOC(c2cccs2)C1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-17-6-4-14-9-13(16)15-5-7-18-11(10-15)12-3-2-8-19-12;/h2-3,8,11,14H,4-7,9-10H2,1H3;1H
InChIKeyROFKIZIFSJRIEW-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
CID 120590709
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one
CID 119757325
N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
CID 71918287
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 120668000

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride (CID 119757336) is 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride is COCCNCC(=O)N1CCOC(c2cccs2)C1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is ROFKIZIFSJRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-17-6-4-14-9-13(16)15-5-7-18-11(10-15)12-3-2-8-19-12;/h2-3,8,11,14H,4-7,9-10H2,1H3;1H.
What are the key properties of 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119757336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).