2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone

C13H18N2O3S — CID 105119326

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-10-12(19-15-14-10)11(16)9-3-5-18-13(7-9)4-6-17-8-13/h9H,2-8H2,1H3
InChIKeyUCQSPLJBVNPMFC-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.87
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone

2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 105119326) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone
PubChem CID105119326
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-10-12(19-15-14-10)11(16)9-3-5-18-13(7-9)4-6-17-8-13/h9H,2-8H2,1H3
InChIKeyUCQSPLJBVNPMFC-UHFFFAOYSA-N
XLogP1.87
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
CID 105113872
(3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 115787851
(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112753
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477
[4-(2-aminoethyl)phenyl]-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116577663
2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone
CID 105119165
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylfuran-3-yl)methanone
CID 104789251
(4-bromo-3,5-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 114329724
(3-ethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787271
(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106691187
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone (CID 105119326) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is UCQSPLJBVNPMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-10-12(19-15-14-10)11(16)9-3-5-18-13(7-9)4-6-17-8-13/h9H,2-8H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone?
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 282.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105119326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).