(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one

C15H22N2O2S — CID 104905205

IUPAC(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCC1CN(C(=O)[C@H](N)Cc2ccc(O)cc2)CC(C)S1
InChIInChI=1S/C15H22N2O2S/c1-10-8-17(9-11(2)20-10)15(19)14(16)7-12-3-5-13(18)6-4-12/h3-6,10-11,14,18H,7-9,16H2,1-2H3/t10?,11?,14-/m1/s1
InChIKeyPZLMCUAWFVDWAW-QIMFLAQGSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds3

About (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one

(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 104905205) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID104905205
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCC1CN(C(=O)[C@H](N)Cc2ccc(O)cc2)CC(C)S1
InChIInChI=1S/C15H22N2O2S/c1-10-8-17(9-11(2)20-10)15(19)14(16)7-12-3-5-13(18)6-4-12/h3-6,10-11,14,18H,7-9,16H2,1-2H3/t10?,11?,14-/m1/s1
InChIKeyPZLMCUAWFVDWAW-QIMFLAQGSA-N
XLogP1.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.61
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
(2S)-2-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104958580
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 104905308
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 104904546
(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905282
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 104984443
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
2-amino-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 114350702
2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 114350808

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one (CID 104905205) is (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one is CC1CN(C(=O)[C@H](N)Cc2ccc(O)cc2)CC(C)S1.
What is the InChIKey of (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is PZLMCUAWFVDWAW-QIMFLAQGSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-8-17(9-11(2)20-10)15(19)14(16)7-12-3-5-13(18)6-4-12/h3-6,10-11,14,18H,7-9,16H2,1-2H3/t10?,11?,14-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one?
(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 294.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 104905205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).