(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine

C19H23NO2S — CID 127031519

IUPAC(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESCSc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO2S/c1-23-19-9-7-16(8-10-19)13-20-11-12-21-18(14-20)15-22-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3/t18-/m0/s1
InChIKeyDJVNPKCWUOYUOV-SFHVURJKSA-N
MW329.47 g/mol
LogP3.69
Rot. Bonds6

About (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine

(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine (PubChem CID 127031519) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine
PubChem CID127031519
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESCSc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO2S/c1-23-19-9-7-16(8-10-19)13-20-11-12-21-18(14-20)15-22-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3/t18-/m0/s1
InChIKeyDJVNPKCWUOYUOV-SFHVURJKSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(2-(4-(methylthio)phenoxy)phenyl)methanamine
CID 9900179
4-Benzyl-2-(2-methoxy-phenoxymethyl)-morpholine
CID 11151135
4-Benzyl-2-(4-iodo-2-methoxy-phenoxymethyl)-morpholine
CID 11328099
(2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 44457059
1-[(4-Methoxyphenoxy)acetyl]-4-[4-(methylsulfanyl)benzyl]piperazine
CID 1072246
1-[(3-Methylphenoxy)acetyl]-4-[4-(methylthio)benzyl]piperazine
CID 1364727
2-(4-Methylphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone
CID 3999333
2-(2-Ethoxy-phenoxymethyl)-4-(4-fluoro-benzyl)-morpholine
CID 11348526
1-Benzyl-4-[2-(methylsulfanyl)phenoxy]piperidine
CID 14400564
1-Benzyl-4-piperidinyl 4-(methylsulfanyl)phenyl ether
CID 14400565
(2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
CID 92984956
(2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
CID 127029386

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine (CID 127031519) is (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine is CSc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1.
What is the InChIKey of (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine?
The InChIKey is DJVNPKCWUOYUOV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-23-19-9-7-16(8-10-19)13-20-11-12-21-18(14-20)15-22-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine has a molecular weight of 329.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127031519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).