5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid

C11H16N2O3S — CID 63378189

IUPAC5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
SMILESCN(CC(=O)N(C)C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H16N2O3S/c1-12(2)10(14)7-13(3)6-8-4-5-9(17-8)11(15)16/h4-5H,6-7H2,1-3H3,(H,15,16)
InChIKeyANLNLWYXZMVSDP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.97
Rot. Bonds5

About 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid

5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 63378189) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID63378189
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
SMILESCN(CC(=O)N(C)C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H16N2O3S/c1-12(2)10(14)7-13(3)6-8-4-5-9(17-8)11(15)16/h4-5H,6-7H2,1-3H3,(H,15,16)
InChIKeyANLNLWYXZMVSDP-UHFFFAOYSA-N
XLogP0.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377922
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103237529
4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80731576
5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63377918
5-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377803
5-[(N,3,5-trimethylanilino)methyl]thiophene-2-carboxylic acid
CID 63378033
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702
5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
CID 63377960
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 79319599
5-(2-oxopropyl)thiophene-2-carboxylic acid
CID 58339018

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid (CID 63378189) is 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid is CN(CC(=O)N(C)C)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is ANLNLWYXZMVSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-12(2)10(14)7-13(3)6-8-4-5-9(17-8)11(15)16/h4-5H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid?
5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63378189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).