methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate

C13H17N3O3S — CID 119103933

IUPACmethyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(C(=O)c1snnc1C)CC2
InChIInChI=1S/C13H17N3O3S/c1-8-10(20-15-14-8)11(17)16-5-3-13(4-6-16)7-9(13)12(18)19-2/h9H,3-7H2,1-2H3
InChIKeyYGVQDZRNIBOGQE-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.26
Rot. Bonds2

About methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate

methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate (PubChem CID 119103933) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate
PubChem CID119103933
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Namemethyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(C(=O)c1snnc1C)CC2
InChIInChI=1S/C13H17N3O3S/c1-8-10(20-15-14-8)11(17)16-5-3-13(4-6-16)7-9(13)12(18)19-2/h9H,3-7H2,1-2H3
InChIKeyYGVQDZRNIBOGQE-UHFFFAOYSA-N
XLogP1.26
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate (CID 119103933) is methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate is COC(=O)C1CC12CCN(C(=O)c1snnc1C)CC2.
What is the InChIKey of methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate?
The InChIKey is YGVQDZRNIBOGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-10(20-15-14-8)11(17)16-5-3-13(4-6-16)7-9(13)12(18)19-2/h9H,3-7H2,1-2H3.
What are the key properties of methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate?
methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylthiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 119103933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).