cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone

C16H21NO2S — CID 82165144

IUPACcyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SCCN2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H21NO2S/c18-16(13-1-2-13)14-3-5-15(6-4-14)20-12-9-17-7-10-19-11-8-17/h3-6,13H,1-2,7-12H2
InChIKeyQXQCCPFBZPXYAN-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.70
Rot. Bonds6

About cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone

cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone (PubChem CID 82165144) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
PubChem CID82165144
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Namecyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SCCN2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H21NO2S/c18-16(13-1-2-13)14-3-5-15(6-4-14)20-12-9-17-7-10-19-11-8-17/h3-6,13H,1-2,7-12H2
InChIKeyQXQCCPFBZPXYAN-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone 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

2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 82165076
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
CID 143457208
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
cyclopropyl-[4-(3-phenoxypropylsulfanyl)phenyl]methanone
CID 94780031
piperidin-4-yl-(4-propylsulfanylphenyl)methanone
CID 82553748
cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone
CID 79229049
1-(4-bromophenyl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone
CID 134064690
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone?
The IUPAC name of cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone (CID 82165144) is cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone is O=C(c1ccc(SCCN2CCOCC2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone?
The InChIKey is QXQCCPFBZPXYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c18-16(13-1-2-13)14-3-5-15(6-4-14)20-12-9-17-7-10-19-11-8-17/h3-6,13H,1-2,7-12H2.
What are the key properties of cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone?
cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone has a molecular weight of 291.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 82165144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).