N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide

C12H14N2OS — CID 62682956

IUPACN-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCN(CCN)C(=O)c1csc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-14(7-6-13)12(15)10-8-16-11-5-3-2-4-9(10)11/h2-5,8H,6-7,13H2,1H3
InChIKeySWXSQOHTFMXMDY-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.93
Rot. Bonds3

About N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide

N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide (PubChem CID 62682956) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
PubChem CID62682956
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCN(CCN)C(=O)c1csc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-14(7-6-13)12(15)10-8-16-11-5-3-2-4-9(10)11/h2-5,8H,6-7,13H2,1H3
InChIKeySWXSQOHTFMXMDY-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 122151930
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012559
N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012555
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 55013217
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
2-[1-benzothiophene-3-carbonyl(carboxymethyl)amino]acetic acid
CID 63650829
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 119454757
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
CID 54942944

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide (CID 62682956) is N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide is CN(CCN)C(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is SWXSQOHTFMXMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-14(7-6-13)12(15)10-8-16-11-5-3-2-4-9(10)11/h2-5,8H,6-7,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide?
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 62682956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).