3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid

C11H18N2O2S — CID 103249183

IUPAC3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
SMILESCCN(C)CCNCc1ccsc1C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-13(2)6-5-12-8-9-4-7-16-10(9)11(14)15/h4,7,12H,3,5-6,8H2,1-2H3,(H,14,15)
InChIKeySAOMXXOHEFYRIB-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.49
Rot. Bonds7

About 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid

3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 103249183) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
PubChem CID103249183
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
SMILESCCN(C)CCNCc1ccsc1C(=O)O
InChIInChI=1S/C11H18N2O2S/c1-3-13(2)6-5-12-8-9-4-7-16-10(9)11(14)15/h4,7,12H,3,5-6,8H2,1-2H3,(H,14,15)
InChIKeySAOMXXOHEFYRIB-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.49
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-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
3-[(3-butoxypropylamino)methyl]thiophene-2-carboxylic acid
CID 103264727
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608
3-[(2-methylbutylamino)methyl]thiophene-2-carboxylic acid
CID 103249040
3-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 106105555
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
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-ethyl-4-hydroxybutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103259005
3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103267005
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103265350
3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103266052

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid (CID 103249183) is 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid is CCN(C)CCNCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is SAOMXXOHEFYRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-13(2)6-5-12-8-9-4-7-16-10(9)11(14)15/h4,7,12H,3,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid?
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103249183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).