2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one

C18H21NO2S — CID 19828225

IUPAC2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one
SMILESCN(C)c1ccc(S(=O)C(C)(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-18(2,17(20)14-8-6-5-7-9-14)22(21)16-12-10-15(11-13-16)19(3)4/h5-13H,1-4H3
InChIKeySTIYQXHPHKEXSW-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one

2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one (PubChem CID 19828225) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one
PubChem CID19828225
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one
SMILESCN(C)c1ccc(S(=O)C(C)(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-18(2,17(20)14-8-6-5-7-9-14)22(21)16-12-10-15(11-13-16)19(3)4/h5-13H,1-4H3
InChIKeySTIYQXHPHKEXSW-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfinyl)-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
CID 19828216
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
CID 172756921
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 102282703
CID 102282703
CID 69397190
CID 69397190
bis((Z)-1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiol);nickel
CID 155859224
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
N'-[1,1-bis[4-(dimethylamino)phenyl]-2-oxo-2-phenylethyl]acetohydrazide
CID 20696178
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
N,N-dimethylaniline;nickel
CID 158294400

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one (CID 19828225) is 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one is CN(C)c1ccc(S(=O)C(C)(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one?
The InChIKey is STIYQXHPHKEXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(2,17(20)14-8-6-5-7-9-14)22(21)16-12-10-15(11-13-16)19(3)4/h5-13H,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one?
2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one has a molecular weight of 315.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]sulfinyl-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 19828225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).