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

C13H21ClN2O2S — CID 120563675

IUPAC4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCOC(c2ccsc2)C1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10(14)2-3-13(16)15-5-6-17-12(8-15)11-4-7-18-9-11;/h4,7,9-10,12H,2-3,5-6,8,14H2,1H3;1H
InChIKeyAUNGCYGZJZLBNW-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.20
Rot. Bonds4

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

4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride (PubChem CID 120563675) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
PubChem CID120563675
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCOC(c2ccsc2)C1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10(14)2-3-13(16)15-5-6-17-12(8-15)11-4-7-18-9-11;/h4,7,9-10,12H,2-3,5-6,8,14H2,1H3;1H
InChIKeyAUNGCYGZJZLBNW-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
CID 120611548
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119940145
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120637241
piperidin-2-yl-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 119339142
4-amino-1-[2-(methoxymethyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120562971
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride (CID 120563675) is 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCOC(c2ccsc2)C1.Cl.
What is the InChIKey of 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride?
The InChIKey is AUNGCYGZJZLBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-10(14)2-3-13(16)15-5-6-17-12(8-15)11-4-7-18-9-11;/h4,7,9-10,12H,2-3,5-6,8,14H2,1H3;1H.
What are the key properties of 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride?
4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 120563675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).