(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one

C19H23NO3S — CID 122140829

IUPAC(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
SMILESC[C@H](C(=O)N1CCOCC1CC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-14(15-6-3-2-4-7-15)19(22)20-9-10-23-13-16(20)12-17(21)18-8-5-11-24-18/h2-8,11,14,16-17,21H,9-10,12-13H2,1H3/t14-,16?,17?/m0/s1
InChIKeyRNRBEYDMIHNUDK-OOHWJJMZSA-N
MW345.46 g/mol
LogP3.20
Rot. Bonds5

About (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one

(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one (PubChem CID 122140829) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
PubChem CID122140829
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
SMILESC[C@H](C(=O)N1CCOCC1CC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-14(15-6-3-2-4-7-15)19(22)20-9-10-23-13-16(20)12-17(21)18-8-5-11-24-18/h2-8,11,14,16-17,21H,9-10,12-13H2,1H3/t14-,16?,17?/m0/s1
InChIKeyRNRBEYDMIHNUDK-OOHWJJMZSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
N-(4-hydroxycyclohexyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 71855344
[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone
CID 110011953
(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 96535639
1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
CID 166406225
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 96535699
(E)-3-(3-chlorophenyl)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]prop-2-en-1-one
CID 75535810
2-[4-(2-ethylsulfanylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976091
2-[4-(1,3-benzothiazol-2-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347732
(2R)-1-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 96567260
2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347736
(1R)-2-[(3S)-4-[(2-nitrophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 129471112

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
The IUPAC name of (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one (CID 122140829) is (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one is C[C@H](C(=O)N1CCOCC1CC(O)c1cccs1)c1ccccc1.
What is the InChIKey of (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
The InChIKey is RNRBEYDMIHNUDK-OOHWJJMZSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(15-6-3-2-4-7-15)19(22)20-9-10-23-13-16(20)12-17(21)18-8-5-11-24-18/h2-8,11,14,16-17,21H,9-10,12-13H2,1H3/t14-,16?,17?/m0/s1.
What are the key properties of (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one?
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one has a molecular weight of 345.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 122140829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).