1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine

C14H19NOS — CID 142071955

IUPAC1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
SMILESCC(=O)c1csc2ccccc12.CCN(C)C
InChIInChI=1S/C10H8OS.C4H11N/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;1-4-5(2)3/h2-6H,1H3;4H2,1-3H3
InChIKeyUSXRUNGIEGAVST-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.67
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine

1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine (PubChem CID 142071955) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
PubChem CID142071955
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
SMILESCC(=O)c1csc2ccccc12.CCN(C)C
InChIInChI=1S/C10H8OS.C4H11N/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;1-4-5(2)3/h2-6H,1H3;4H2,1-3H3
InChIKeyUSXRUNGIEGAVST-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
ethyl 1-benzothiophene-3-carboxylate
CID 898679
N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
[1-(1-benzothiophen-3-yl)-2,2-difluoroethenyl] N,N-diethylcarbamate
CID 62706866
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
1-(1-benzothiophene-3-carbonylamino)-1-ethylthiourea
CID 22301185
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 122151930
2-[1-benzothiophene-3-carbonyl(carboxymethyl)amino]acetic acid
CID 63650829

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine (CID 142071955) is 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine is CC(=O)c1csc2ccccc12.CCN(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine?
The InChIKey is USXRUNGIEGAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS.C4H11N/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;1-4-5(2)3/h2-6H,1H3;4H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine?
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine is sourced from PubChem (CID 142071955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).