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

C10H14N2O3S — CID 103237529

IUPAC5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCN(C)C(=O)CNCc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-12(2)9(13)6-11-5-7-3-4-8(16-7)10(14)15/h3-4,11H,5-6H2,1-2H3,(H,14,15)
InChIKeyPLQUXNGFQXVIAE-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.62
Rot. Bonds5

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

5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103237529) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID103237529
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCN(C)C(=O)CNCc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-12(2)9(13)6-11-5-7-3-4-8(16-7)10(14)15/h3-4,11H,5-6H2,1-2H3,(H,14,15)
InChIKeyPLQUXNGFQXVIAE-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxythiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115702261
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708
5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 63378189
5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103240638
5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103256258
5-[[(3-methoxy-3-oxopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103240357
5-[(3-hydroxybutylamino)methyl]thiophene-2-carboxylic acid
CID 103254166
5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249681
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[(3-methylsulfonylpropylamino)methyl]thiophene-2-carboxylic acid
CID 103242041
5-[(pent-3-ynylamino)methyl]thiophene-2-carboxylic acid
CID 103266554

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid (CID 103237529) is 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid is CN(C)C(=O)CNCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is PLQUXNGFQXVIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12(2)9(13)6-11-5-7-3-4-8(16-7)10(14)15/h3-4,11H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103237529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).