1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone

C16H15NOS — CID 170895942

IUPAC1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C16H15NOS/c1-17(2)10-14(18)11-7-8-16-13(9-11)12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3
InChIKeyKFWHZDCFHDFHRK-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.80
Rot. Bonds3

About 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone

1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone (PubChem CID 170895942) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone
PubChem CID170895942
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C16H15NOS/c1-17(2)10-14(18)11-7-8-16-13(9-11)12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3
InChIKeyKFWHZDCFHDFHRK-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
CID 170861445
1-(9-bromophenanthren-3-yl)-2-(dimethylamino)ethanone;hydrochloride
CID 53422197
[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
CID 71619385
4-dibenzothiophen-2-yl-4-oxobutanoic acid;3,5-difluorobenzoic acid
CID 157463004
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
dibenzothiophene-2,8-dicarboxylic acid
CID 4739374
3-(dibenzothiophene-2-carbonyl)oxirane-2-carboxylic acid
CID 15717722
ethyl 2-dibenzothiophen-2-yl-4-methylpent-2-enoate
CID 163662457
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone
CID 170896197
bis(dibenzothiophene);ethane
CID 143921746
2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
CID 170896073

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone?
The IUPAC name of 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone (CID 170895942) is 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone?
The canonical SMILES for 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone is CN(C)CC(=O)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone?
The InChIKey is KFWHZDCFHDFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-17(2)10-14(18)11-7-8-16-13(9-11)12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3.
What are the key properties of 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone?
1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone has a molecular weight of 269.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone is sourced from PubChem (CID 170895942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).