2-aminoethyl 4,5-dimethylthiophene-2-carboxylate

C9H13NO2S — CID 54257993

IUPAC2-aminoethyl 4,5-dimethylthiophene-2-carboxylate
SMILESCc1cc(C(=O)OCCN)sc1C
InChIInChI=1S/C9H13NO2S/c1-6-5-8(13-7(6)2)9(11)12-4-3-10/h5H,3-4,10H2,1-2H3
InChIKeyRBKOIPFDZIFUFI-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.48
Rot. Bonds3

About 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate

2-aminoethyl 4,5-dimethylthiophene-2-carboxylate (PubChem CID 54257993) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-aminoethyl 4,5-dimethylthiophene-2-carboxylate
PubChem CID54257993
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-aminoethyl 4,5-dimethylthiophene-2-carboxylate
SMILESCc1cc(C(=O)OCCN)sc1C
InChIInChI=1S/C9H13NO2S/c1-6-5-8(13-7(6)2)9(11)12-4-3-10/h5H,3-4,10H2,1-2H3
InChIKeyRBKOIPFDZIFUFI-UHFFFAOYSA-N
XLogP1.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate?
The IUPAC name of 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate (CID 54257993) is 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate.
What is the SMILES notation for 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate?
The canonical SMILES for 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate is Cc1cc(C(=O)OCCN)sc1C.
What is the InChIKey of 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate?
The InChIKey is RBKOIPFDZIFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-5-8(13-7(6)2)9(11)12-4-3-10/h5H,3-4,10H2,1-2H3.
What are the key properties of 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate?
2-aminoethyl 4,5-dimethylthiophene-2-carboxylate has a molecular weight of 199.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 4,5-dimethylthiophene-2-carboxylate is sourced from PubChem (CID 54257993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).