5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid

C14H15NO4S — CID 43437159

IUPAC5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(N2C(=O)CC3(CCCC3)C2=O)sc1C(=O)O
InChIInChI=1S/C14H15NO4S/c1-8-6-10(20-11(8)12(17)18)15-9(16)7-14(13(15)19)4-2-3-5-14/h6H,2-5,7H2,1H3,(H,17,18)
InChIKeyGMDCESQNXBBSAN-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.58
Rot. Bonds2

About 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid

5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid (PubChem CID 43437159) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid
PubChem CID43437159
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(N2C(=O)CC3(CCCC3)C2=O)sc1C(=O)O
InChIInChI=1S/C14H15NO4S/c1-8-6-10(20-11(8)12(17)18)15-9(16)7-14(13(15)19)4-2-3-5-14/h6H,2-5,7H2,1H3,(H,17,18)
InChIKeyGMDCESQNXBBSAN-UHFFFAOYSA-N
XLogP2.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-Cyclopentaneamido-3-methylthiophene-2-carboxylic acid
CID 16772054
5-(Cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid
CID 68735854
3-Ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid
CID 69362691
5-(2,2-Dimethylpropanamido)-3-methylthiophene-2-carboxylic acid
CID 16227332
5-(Cyclohexanecarbonylamino)-3-methylthiophene-2-carboxylic acid
CID 16773940
5-[(2-Cyclopentylacetyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16776592
5-(3,3-Dimethylbutanoylamino)-3-methylthiophene-2-carboxylic acid
CID 16783875
5-(1,3-Dioxooctahydro-2H-isoindol-2-YL)-3-methylthiophene-2-carboxylic acid
CID 16785023
5-(2,5-Dioxopyrrolidin-1-yl)-3-methylthiophene-2-carboxylic acid
CID 16786093
5-(3-Cyclopentylpropanoylamino)-3-methylthiophene-2-carboxylic acid
CID 16786146
5-(2,5-Dioxopyrrol-1-yl)-3-methylthiophene-2-carboxylic acid
CID 16786477
5-(1,3-Dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-methylthiophene-2-carboxylic acid
CID 16791755

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid (CID 43437159) is 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid is Cc1cc(N2C(=O)CC3(CCCC3)C2=O)sc1C(=O)O.
What is the InChIKey of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid?
The InChIKey is GMDCESQNXBBSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-8-6-10(20-11(8)12(17)18)15-9(16)7-14(13(15)19)4-2-3-5-14/h6H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid?
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43437159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).