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

HCID 21085960
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN(C)Cc1ccc(C(=O)O)s1
InChIKey
IMMCYWKFRYEBBM-UHFFFAOYSA-N
Molecular formula
C11H17NO2S
Average molar mass
227.33 g/mol

Names & identifiers

Preferred name
5-([Butyl(methyl)amino]methyl)thiophene-2-carboxylic acid
IUPAC
5-[[butyl(methyl)amino]methyl]thiophene-2-carboxylic acid

Names & synonyms

5-([butyl(methyl)amino]methyl)thiophene-2-carboxylic acid5-{[Butyl(methyl)amino]methyl}thiophene-2-carboxylic AcidSCHEMBL3349474IMMCYWKFRYEBBM-UHFFFAOYSA-NAKOS012684288

Database identifiers

PubChem CID
21085960

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
68.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
15

Related reactions

5 records
New reaction record

Compound notes

Loading…