4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride

C13H21ClN2O3S — CID 120590709

IUPAC4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCOC(c2cccs2)C1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-17-10(8-14)7-13(16)15-4-5-18-11(9-15)12-3-2-6-19-12;/h2-3,6,10-11H,4-5,7-9,14H2,1H3;1H
InChIKeyZXSPOEMWNIZPDC-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.43
Rot. Bonds5

About 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride

4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride (PubChem CID 120590709) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
PubChem CID120590709
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCOC(c2cccs2)C1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-17-10(8-14)7-13(16)15-4-5-18-11(9-15)12-3-2-6-19-12;/h2-3,6,10-11H,4-5,7-9,14H2,1H3;1H
InChIKeyZXSPOEMWNIZPDC-UHFFFAOYSA-N
XLogP1.43
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757336
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one
CID 119757325
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 120668000
(3-aminocyclopentyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757298
N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
CID 71918287
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757300
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide
CID 97068224

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride (CID 120590709) is 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride is COC(CN)CC(=O)N1CCOC(c2cccs2)C1.Cl.
What is the InChIKey of 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride?
The InChIKey is ZXSPOEMWNIZPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-17-10(8-14)7-13(16)15-4-5-18-11(9-15)12-3-2-6-19-12;/h2-3,6,10-11H,4-5,7-9,14H2,1H3;1H.
What are the key properties of 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride?
4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120590709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).