Basic information
- CAS
6109-68-8- Standard SMILES
COC(=O)c1sc(NC(=O)CC(C)C)c(C(=O)OC)c1C- InChIKey
SAHSVHUUNSYLFQ-UHFFFAOYSA-N- Molecular formula
- C14H19NO5S
- Average molar mass
- 313.37 g/mol
- Monoisotopic mass
- 313.09839388
Names & identifiers
- Preferred name
- Dimethyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate
- IUPAC
- dimethyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate
Names & synonyms
dimethyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylateSMR000141040MLS000533602dimethyl 3-methyl-5-[(3-methylbutanoyl)amino]-2,4-thiophenedicarboxylate6109-68-8Dimethyl 3-methyl-5-(3-methylbutanamido)thiophene-2,4-dicarboxylateCBMicro_015842Oprea1_398420cid_873752CHEMBL1564680BDBM32730DTXSID70357977
Show more names
HMS2287P09STK419084AKOS001616244CCG-107584BIM-0015819.P001AK-968/121631275-(isovalerylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl esterdimethyl 3-methyl-5-[(3-methylbutanoyl)amino]thiophene-2,4-dicarboxylate
Database identifiers
- CAS
6109-68-8- PubChem CID
- 873752
- DTXSID
DTXSID70357977- ChEMBL
CHEMBL1564680
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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