(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one

C16H24N2OS — CID 124569098

IUPAC(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one
SMILESCC(C)[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)15-11-18(8-9-20-15)16(19)14(17)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t14-,15-/m1/s1
InChIKeyQJGBYYQKDDHJCO-HUUCEWRRSA-N
MW292.45 g/mol
LogP2.16
Rot. Bonds4

About (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one

(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one (PubChem CID 124569098) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one
PubChem CID124569098
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one
SMILESCC(C)[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)15-11-18(8-9-20-15)16(19)14(17)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t14-,15-/m1/s1
InChIKeyQJGBYYQKDDHJCO-HUUCEWRRSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124681786
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 120594140
2-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119880087
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 114350808
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one (CID 124569098) is (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one is CC(C)[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCS1.
What is the InChIKey of (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one?
The InChIKey is QJGBYYQKDDHJCO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)15-11-18(8-9-20-15)16(19)14(17)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one?
(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one is sourced from PubChem (CID 124569098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).