3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid

C9H13NO3S — CID 103230956

IUPAC3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
SMILESCOCCNCc1ccsc1C(=O)O
InChIInChI=1S/C9H13NO3S/c1-13-4-3-10-6-7-2-5-14-8(7)9(11)12/h2,5,10H,3-4,6H2,1H3,(H,11,12)
InChIKeyRQLXWWFWZJHJFQ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.18
Rot. Bonds6

About 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid

3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103230956) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103230956
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
SMILESCOCCNCc1ccsc1C(=O)O
InChIInChI=1S/C9H13NO3S/c1-13-4-3-10-6-7-2-5-14-8(7)9(11)12/h2,5,10H,3-4,6H2,1H3,(H,11,12)
InChIKeyRQLXWWFWZJHJFQ-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
3-[(4-propan-2-yloxybutylamino)methyl]thiophene-2-carboxylic acid
CID 106004138
3-[[3-(2-hydroxyethoxy)propylamino]methyl]thiophene-2-carboxylic acid
CID 106305535
3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103266052
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249183
3-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103254041
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
3-[(cyclohexylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103237843
3-(2-methoxyethylsulfanylmethyl)thiophene-2-carboxylic acid
CID 63641559
3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 166263879
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608
3-[(2-methylbutylamino)methyl]thiophene-2-carboxylic acid
CID 103249040

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid (CID 103230956) is 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid is COCCNCc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is RQLXWWFWZJHJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-13-4-3-10-6-7-2-5-14-8(7)9(11)12/h2,5,10H,3-4,6H2,1H3,(H,11,12).
What are the key properties of 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid?
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103230956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).