2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one

C16H23NO2S — CID 66596867

IUPAC2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccccc1SC)N1CCOCC1
InChIInChI=1S/C16H23NO2S/c1-4-16(2,17-9-11-19-12-10-17)15(18)13-7-5-6-8-14(13)20-3/h5-8H,4,9-12H2,1-3H3
InChIKeyUROALFAZHOGTCB-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one

2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one (PubChem CID 66596867) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
PubChem CID66596867
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccccc1SC)N1CCOCC1
InChIInChI=1S/C16H23NO2S/c1-4-16(2,17-9-11-19-12-10-17)15(18)13-7-5-6-8-14(13)20-3/h5-8H,4,9-12H2,1-3H3
InChIKeyUROALFAZHOGTCB-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 15702405
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106761832
1-(3-fluoro-5-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79705373
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106880851
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
1-(3-chloro-4-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 107559877
1-(3-iodo-2-methylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 67996389
2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
CID 79065462
2,5-dimethyl-5-morpholin-4-ylheptan-4-one
CID 79065685
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79064858
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
CID 79065617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one (CID 66596867) is 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)c1ccccc1SC)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
The InChIKey is UROALFAZHOGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-16(2,17-9-11-19-12-10-17)15(18)13-7-5-6-8-14(13)20-3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one has a molecular weight of 293.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 66596867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).