2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one

C12H13NOS — CID 23618738

IUPAC2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)c1csc2ccccc12
InChIInChI=1S/C12H13NOS/c1-12(2,13)11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,13H2,1-2H3
InChIKeyPPJXZOANSUVANJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one

2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one (PubChem CID 23618738) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
PubChem CID23618738
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)c1csc2ccccc12
InChIInChI=1S/C12H13NOS/c1-12(2,13)11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,13H2,1-2H3
InChIKeyPPJXZOANSUVANJ-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-3-carboxamide
CID 82726518
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
ethyl 1-benzothiophene-3-carboxylate
CID 898679
N-[(2S)-3,3-dimethylbutan-2-yl]-1-benzothiophene-3-carboxamide
CID 1246729
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 115884348
N-(1-bromo-2-methylpropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114308191
N-(2,2,2-trifluoroethoxy)-1-benzothiophene-3-carboxamide
CID 81340322
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 122151930
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
N-(1-bromo-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 113275632
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one (CID 23618738) is 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one is CC(C)(N)C(=O)c1csc2ccccc12.
What is the InChIKey of 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one?
The InChIKey is PPJXZOANSUVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-12(2,13)11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,13H2,1-2H3.
What are the key properties of 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one?
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one has a molecular weight of 219.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 23618738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).