5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine

C10H15N3O2S — CID 166163188

IUPAC5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OC2COC3(CCCC3)C2)s1
InChIInChI=1S/C10H15N3O2S/c11-8-12-13-9(16-8)15-7-5-10(14-6-7)3-1-2-4-10/h7H,1-6H2,(H2,11,12)
InChIKeyCELKXAYHDGDFQO-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.60
Rot. Bonds2

About 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine

5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine (PubChem CID 166163188) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine
PubChem CID166163188
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OC2COC3(CCCC3)C2)s1
InChIInChI=1S/C10H15N3O2S/c11-8-12-13-9(16-8)15-7-5-10(14-6-7)3-1-2-4-10/h7H,1-6H2,(H2,11,12)
InChIKeyCELKXAYHDGDFQO-UHFFFAOYSA-N
XLogP1.60
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine
CID 166162969
5-[[(6R)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine
CID 166163108
5-(4-Oxaspiro[2.4]heptan-6-yloxy)-1,3,4-thiadiazol-2-amine
CID 166163395

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine (CID 166163188) is 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine is Nc1nnc(OC2COC3(CCCC3)C2)s1.
What is the InChIKey of 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine?
The InChIKey is CELKXAYHDGDFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-8-12-13-9(16-8)15-7-5-10(14-6-7)3-1-2-4-10/h7H,1-6H2,(H2,11,12).
What are the key properties of 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine?
5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine has a molecular weight of 241.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 166163188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).