2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone

C11H15NO3S — CID 170896030

IUPAC2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
SMILESCN(C)CC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-12(2)8-11(13)9-4-6-10(7-5-9)16(3,14)15/h4-7H,8H2,1-3H3
InChIKeySSRANOMWZJGKEJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.83
Rot. Bonds4

About 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone

2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 170896030) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID170896030
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
SMILESCN(C)CC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-12(2)8-11(13)9-4-6-10(7-5-9)16(3,14)15/h4-7H,8H2,1-3H3
InChIKeySSRANOMWZJGKEJ-UHFFFAOYSA-N
XLogP0.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-methylsulfonylphenyl)ethanone
CID 2763582
3-(4-methylsulfonylphenyl)-3-oxopropanoic acid
CID 116917988
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135
3-(dimethylamino)-1-(4-methylsulfonylphenyl)prop-2-yn-1-one
CID 116825517
2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
CID 55296835
1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
CID 21490372
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
1-(4-methylsulfonylphenyl)octan-1-one
CID 86016646
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007898
2-[(2-amino-2-oxoethyl)-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 107434144

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone (CID 170896030) is 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone is CN(C)CC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is SSRANOMWZJGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-12(2)8-11(13)9-4-6-10(7-5-9)16(3,14)15/h4-7H,8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone?
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 241.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 170896030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).