1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone

C10H13N3O3S — CID 47262504

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H13N3O3S/c14-9(8-7-11-12-17-8)13-3-1-10(2-4-13)15-5-6-16-10/h7H,1-6H2
InChIKeyPQUXWHAAGRTMOZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.52
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone (PubChem CID 47262504) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone
PubChem CID47262504
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H13N3O3S/c14-9(8-7-11-12-17-8)13-3-1-10(2-4-13)15-5-6-16-10/h7H,1-6H2
InChIKeyPQUXWHAAGRTMOZ-UHFFFAOYSA-N
XLogP0.52
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone (CID 47262504) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone?
The InChIKey is PQUXWHAAGRTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-9(8-7-11-12-17-8)13-3-1-10(2-4-13)15-5-6-16-10/h7H,1-6H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone has a molecular weight of 255.30 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-5-yl)methanone is sourced from PubChem (CID 47262504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).