[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone

C14H20N2O2S — CID 81484165

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C14H20N2O2S/c1-10(15)12-9-16(7-8-18-12)14(17)11-5-3-4-6-13(11)19-2/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyJMGBPYMOKQZHGV-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.60
Rot. Bonds3

About [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 81484165) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID81484165
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C14H20N2O2S/c1-10(15)12-9-16(7-8-18-12)14(17)11-5-3-4-6-13(11)19-2/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyJMGBPYMOKQZHGV-UHFFFAOYSA-N
XLogP1.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)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-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
[2-(1-aminoethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81484249
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone (CID 81484165) is [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is JMGBPYMOKQZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(15)12-9-16(7-8-18-12)14(17)11-5-3-4-6-13(11)19-2/h3-6,10,12H,7-9,15H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 280.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 81484165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).