5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid

C12H20N2O3S — CID 103249681

IUPAC5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
SMILESCOCCN(C)CCNCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H20N2O3S/c1-14(7-8-17-2)6-5-13-9-10-3-4-11(18-10)12(15)16/h3-4,13H,5-9H2,1-2H3,(H,15,16)
InChIKeyFGCPOKGKMGGOCC-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.11
Rot. Bonds9

About 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid

5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 103249681) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
PubChem CID103249681
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
SMILESCOCCN(C)CCNCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H20N2O3S/c1-14(7-8-17-2)6-5-13-9-10-3-4-11(18-10)12(15)16/h3-4,13H,5-9H2,1-2H3,(H,15,16)
InChIKeyFGCPOKGKMGGOCC-UHFFFAOYSA-N
XLogP1.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(3-methoxy-3-oxopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103240357
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103237529
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103249706
N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
5-[(3-hydroxybutylamino)methyl]thiophene-2-carboxylic acid
CID 103254166
methyl 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]furan-3-carboxylate
CID 104586166
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62923091
5-[(pent-3-ynylamino)methyl]thiophene-2-carboxylic acid
CID 103266554
5-[(3-methylsulfonylpropylamino)methyl]thiophene-2-carboxylic acid
CID 103242041
5-[(3-methylsulfinylbutylamino)methyl]thiophene-2-carboxylic acid
CID 103264674
N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62844842

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid (CID 103249681) is 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid is COCCN(C)CCNCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is FGCPOKGKMGGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-14(7-8-17-2)6-5-13-9-10-3-4-11(18-10)12(15)16/h3-4,13H,5-9H2,1-2H3,(H,15,16).
What are the key properties of 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103249681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).