4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine

C21H25NOS2 — CID 12590230

IUPAC4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine
SMILESCSC(SC)=C(c1ccccc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H25NOS2/c1-24-21(25-2)19(17-9-5-3-6-10-17)20(18-11-7-4-8-12-18)22-13-15-23-16-14-22/h3-12,20H,13-16H2,1-2H3
InChIKeyQIAKUSYTEPPHCO-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.15
Rot. Bonds6

About 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine

4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine (PubChem CID 12590230) has the molecular formula C21H25NOS2 and a molecular weight of 371.57 g/mol. Its IUPAC name is 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine
PubChem CID12590230
Molecular FormulaC21H25NOS2
Molecular Weight371.57 g/mol
Exact Mass371.14
IUPAC Name4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine
SMILESCSC(SC)=C(c1ccccc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H25NOS2/c1-24-21(25-2)19(17-9-5-3-6-10-17)20(18-11-7-4-8-12-18)22-13-15-23-16-14-22/h3-12,20H,13-16H2,1-2H3
InChIKeyQIAKUSYTEPPHCO-UHFFFAOYSA-N
XLogP5.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]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

4-[2-(4-methylphenyl)-3,3-bis(methylsulfanyl)-1-phenylprop-2-enyl]morpholine
CID 12590232
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
N-(methylcarbamoyl)-2-morpholin-4-yl-2-phenylacetamide
CID 17441773
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
N-methyl-3-(2-morpholin-4-yl-2-phenylacetyl)-1,3-oxazolidine-4-carboxamide
CID 67612065
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine?
The IUPAC name of 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine (CID 12590230) is 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine.
What is the SMILES notation for 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine?
The canonical SMILES for 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine is CSC(SC)=C(c1ccccc1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine?
The InChIKey is QIAKUSYTEPPHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NOS2/c1-24-21(25-2)19(17-9-5-3-6-10-17)20(18-11-7-4-8-12-18)22-13-15-23-16-14-22/h3-12,20H,13-16H2,1-2H3.
What are the key properties of 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine?
4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine has a molecular weight of 371.57 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine is sourced from PubChem (CID 12590230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).