2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one

C15H22N2O2S — CID 114350808

IUPAC2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCCC1CN(C(=O)C(N)Cc2ccc(O)cc2)CCS1
InChIInChI=1S/C15H22N2O2S/c1-2-13-10-17(7-8-20-13)15(19)14(16)9-11-3-5-12(18)6-4-11/h3-6,13-14,18H,2,7-10,16H2,1H3
InChIKeyFBKCUCCYZUOAGK-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one

2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 114350808) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID114350808
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCCC1CN(C(=O)C(N)Cc2ccc(O)cc2)CCS1
InChIInChI=1S/C15H22N2O2S/c1-2-13-10-17(7-8-20-13)15(19)14(16)9-11-3-5-12(18)6-4-11/h3-6,13-14,18H,2,7-10,16H2,1H3
InChIKeyFBKCUCCYZUOAGK-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612
(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905205
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103533022
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 104904546
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 104905127
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905212
(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one
CID 124569098
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one (CID 114350808) is 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one is CCC1CN(C(=O)C(N)Cc2ccc(O)cc2)CCS1.
What is the InChIKey of 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is FBKCUCCYZUOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-13-10-17(7-8-20-13)15(19)14(16)9-11-3-5-12(18)6-4-11/h3-6,13-14,18H,2,7-10,16H2,1H3.
What are the key properties of 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 294.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 114350808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).