7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

C15H18N2O3S — CID 70715618

IUPAC7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCCc1c(C(=O)N2CCC3(CC(=O)NC3=O)C2)csc1C
InChIInChI=1S/C15H18N2O3S/c1-3-10-9(2)21-7-11(10)13(19)17-5-4-15(8-17)6-12(18)16-14(15)20/h7H,3-6,8H2,1-2H3,(H,16,18,20)
InChIKeyOMZQJMUGNGDBKO-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.50
Rot. Bonds2

About 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70715618) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70715618
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCCc1c(C(=O)N2CCC3(CC(=O)NC3=O)C2)csc1C
InChIInChI=1S/C15H18N2O3S/c1-3-10-9(2)21-7-11(10)13(19)17-5-4-15(8-17)6-12(18)16-14(15)20/h7H,3-6,8H2,1-2H3,(H,16,18,20)
InChIKeyOMZQJMUGNGDBKO-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70715618) is 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is CCc1c(C(=O)N2CCC3(CC(=O)NC3=O)C2)csc1C.
What is the InChIKey of 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is OMZQJMUGNGDBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-10-9(2)21-7-11(10)13(19)17-5-4-15(8-17)6-12(18)16-14(15)20/h7H,3-6,8H2,1-2H3,(H,16,18,20).
What are the key properties of 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 306.39 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethyl-5-methylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70715618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).