5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid

C13H22N2O2S — CID 63377960

IUPAC5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
SMILESCCCN(CCN(C)C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C13H22N2O2S/c1-4-7-15(9-8-14(2)3)10-11-5-6-12(18-11)13(16)17/h5-6H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyDFBYDTPVOMERLE-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.22
Rot. Bonds8

About 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid

5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 63377960) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
PubChem CID63377960
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
SMILESCCCN(CCN(C)C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C13H22N2O2S/c1-4-7-15(9-8-14(2)3)10-11-5-6-12(18-11)13(16)17/h5-6H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyDFBYDTPVOMERLE-UHFFFAOYSA-N
XLogP2.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid (CID 63377960) is 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid is CCCN(CCN(C)C)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is DFBYDTPVOMERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-7-15(9-8-14(2)3)10-11-5-6-12(18-11)13(16)17/h5-6H,4,7-10H2,1-3H3,(H,16,17).
What are the key properties of 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid?
5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 270.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).