3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide

C12H14N2OS — CID 141054220

IUPAC3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)Cc1c(C(N)=O)sc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-14(2)7-9-8-5-3-4-6-10(8)16-11(9)12(13)15/h3-6H,7H2,1-2H3,(H2,13,15)
InChIKeyPDADLWRZAODFII-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.06
Rot. Bonds3

About 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide

3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 141054220) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
PubChem CID141054220
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)Cc1c(C(N)=O)sc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-14(2)7-9-8-5-3-4-6-10(8)16-11(9)12(13)15/h3-6H,7H2,1-2H3,(H2,13,15)
InChIKeyPDADLWRZAODFII-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2,2-dimethylpropyl(methyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63577482
3-[[methyl(pentan-3-yl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63574249
3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 104556587
3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 104552490
3-[[methyl(pentan-2-yl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63572760
3-[[methyl(2-methylbutyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63571772
3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 63864111
methyl 3-(aminomethyl)-1-benzothiophene-2-carboxylate
CID 50988559
3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63590827
3-[[cyclopropyl(propyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63572900
1-(3-ethyl-1-benzothiophen-2-yl)-3-phenylprop-2-yn-1-one
CID 134852354
3-[[ethyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 61448814

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide (CID 141054220) is 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide is CN(C)Cc1c(C(N)=O)sc2ccccc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is PDADLWRZAODFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-14(2)7-9-8-5-3-4-6-10(8)16-11(9)12(13)15/h3-6H,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 141054220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).