6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C15H19NO3S — CID 119175481

IUPAC6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCc1ccsc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C15H19NO3S/c1-2-10-3-8-20-12(10)13(17)16-6-4-15(5-7-16)9-11(15)14(18)19/h3,8,11H,2,4-7,9H2,1H3,(H,18,19)
InChIKeyLKJWFAKWGLHZGV-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.64
Rot. Bonds3

About 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175481) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175481
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCc1ccsc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C15H19NO3S/c1-2-10-3-8-20-12(10)13(17)16-6-4-15(5-7-16)9-11(15)14(18)19/h3,8,11H,2,4-7,9H2,1H3,(H,18,19)
InChIKeyLKJWFAKWGLHZGV-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175481) is 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is CCc1ccsc1C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is LKJWFAKWGLHZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-2-10-3-8-20-12(10)13(17)16-6-4-15(5-7-16)9-11(15)14(18)19/h3,8,11H,2,4-7,9H2,1H3,(H,18,19).
What are the key properties of 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).