6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C15H19NO3S — CID 119175152

IUPAC6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1ccc(CC(=O)N2CCC3(CC2)CC3C(=O)O)s1
InChIInChI=1S/C15H19NO3S/c1-10-2-3-11(20-10)8-13(17)16-6-4-15(5-7-16)9-12(15)14(18)19/h2-3,12H,4-9H2,1H3,(H,18,19)
InChIKeyMIYHNOKXAHUTOF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.31
Rot. Bonds3

About 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175152) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175152
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1ccc(CC(=O)N2CCC3(CC2)CC3C(=O)O)s1
InChIInChI=1S/C15H19NO3S/c1-10-2-3-11(20-10)8-13(17)16-6-4-15(5-7-16)9-12(15)14(18)19/h2-3,12H,4-9H2,1H3,(H,18,19)
InChIKeyMIYHNOKXAHUTOF-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175152) is 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1ccc(CC(=O)N2CCC3(CC2)CC3C(=O)O)s1.
What is the InChIKey of 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is MIYHNOKXAHUTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10-2-3-11(20-10)8-13(17)16-6-4-15(5-7-16)9-12(15)14(18)19/h2-3,12H,4-9H2,1H3,(H,18,19).
What are the key properties of 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).