4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine

C19H23NO3S — CID 126430266

IUPAC4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
SMILESC[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)N1CCOCC1
InChIInChI=1S/C19H23NO3S/c1-15(20-11-13-23-14-12-20)16-3-5-17(6-4-16)18-7-9-19(10-8-18)24(2,21)22/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyJJIXHHIPGCXJIY-HNNXBMFYSA-N
MW345.46 g/mol
LogP3.15
Rot. Bonds4

About 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine

4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine (PubChem CID 126430266) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
PubChem CID126430266
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
SMILESC[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)N1CCOCC1
InChIInChI=1S/C19H23NO3S/c1-15(20-11-13-23-14-12-20)16-3-5-17(6-4-16)18-7-9-19(10-8-18)24(2,21)22/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyJJIXHHIPGCXJIY-HNNXBMFYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595825
4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
N-[5-[4-(1-morpholin-4-ylethyl)phenyl]-2-pyridinyl]acetamide
CID 50976257
4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
CID 163314713
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480
N-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidin-3-amine
CID 115299929
4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126434299

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine (CID 126430266) is 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine is C[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine?
The InChIKey is JJIXHHIPGCXJIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15(20-11-13-23-14-12-20)16-3-5-17(6-4-16)18-7-9-19(10-8-18)24(2,21)22/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine?
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine has a molecular weight of 345.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine is sourced from PubChem (CID 126430266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).