1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one

C15H21NO2S — CID 67567676

IUPAC1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one
SMILESCCSc1ccccc1C1CN(CC(C)=O)CCO1
InChIInChI=1S/C15H21NO2S/c1-3-19-15-7-5-4-6-13(15)14-11-16(8-9-18-14)10-12(2)17/h4-7,14H,3,8-11H2,1-2H3
InChIKeyIPYRHBLAILLWGU-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one

1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one (PubChem CID 67567676) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one
PubChem CID67567676
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one
SMILESCCSc1ccccc1C1CN(CC(C)=O)CCO1
InChIInChI=1S/C15H21NO2S/c1-3-19-15-7-5-4-6-13(15)14-11-16(8-9-18-14)10-12(2)17/h4-7,14H,3,8-11H2,1-2H3
InChIKeyIPYRHBLAILLWGU-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
N-(3,4-dichlorophenyl)-2-[2-(2-methylphenyl)morpholin-4-yl]acetamide
CID 146075464
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639
(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 124595664
1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid
CID 138003930
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
CID 99833548
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 36738179

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one?
The IUPAC name of 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one (CID 67567676) is 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one is CCSc1ccccc1C1CN(CC(C)=O)CCO1.
What is the InChIKey of 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one?
The InChIKey is IPYRHBLAILLWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-19-15-7-5-4-6-13(15)14-11-16(8-9-18-14)10-12(2)17/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one?
1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one has a molecular weight of 279.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one is sourced from PubChem (CID 67567676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).