6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C18H25NO3S — CID 119175108

IUPAC6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCCc1sc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1CC
InChIInChI=1S/C18H25NO3S/c1-3-5-14-12(4-2)10-15(23-14)16(20)19-8-6-18(7-9-19)11-13(18)17(21)22/h10,13H,3-9,11H2,1-2H3,(H,21,22)
InChIKeyXNNPAZMHOACGGI-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.59
Rot. Bonds5

About 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175108) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175108
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCCc1sc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1CC
InChIInChI=1S/C18H25NO3S/c1-3-5-14-12(4-2)10-15(23-14)16(20)19-8-6-18(7-9-19)11-13(18)17(21)22/h10,13H,3-9,11H2,1-2H3,(H,21,22)
InChIKeyXNNPAZMHOACGGI-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175108) is 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is CCCc1sc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1CC.
What is the InChIKey of 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is XNNPAZMHOACGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-3-5-14-12(4-2)10-15(23-14)16(20)19-8-6-18(7-9-19)11-13(18)17(21)22/h10,13H,3-9,11H2,1-2H3,(H,21,22).
What are the key properties of 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 335.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).