1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione

C15H23N3O2S — CID 103967957

IUPAC1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2=NCC3(CCCCC3)CS2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-18-12(19)6-5-11(13(18)20)17-14-16-9-15(10-21-14)7-3-2-4-8-15/h11H,2-10H2,1H3,(H,16,17)
InChIKeyAJJZSUCWJVNEGV-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.78
Rot. Bonds1

About 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione

1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione (PubChem CID 103967957) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione
PubChem CID103967957
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2=NCC3(CCCCC3)CS2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-18-12(19)6-5-11(13(18)20)17-14-16-9-15(10-21-14)7-3-2-4-8-15/h11H,2-10H2,1H3,(H,16,17)
InChIKeyAJJZSUCWJVNEGV-UHFFFAOYSA-N
XLogP1.78
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione (CID 103967957) is 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione is CN1C(=O)CCC(NC2=NCC3(CCCCC3)CS2)C1=O.
What is the InChIKey of 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione?
The InChIKey is AJJZSUCWJVNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18-12(19)6-5-11(13(18)20)17-14-16-9-15(10-21-14)7-3-2-4-8-15/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione?
1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione has a molecular weight of 309.44 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 103967957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).