8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H18N4O4S2 — CID 53151819

IUPAC8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nn2c(S(=O)(=O)N3CCC4(CC3)OCCO4)c(C)nc2s1
InChIInChI=1S/C13H18N4O4S2/c1-9-11(17-12(14-9)22-10(2)15-17)23(18,19)16-5-3-13(4-6-16)20-7-8-21-13/h3-8H2,1-2H3
InChIKeyKZGFZBPHRZCJNP-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.94
Rot. Bonds2

About 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 53151819) has the molecular formula C13H18N4O4S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID53151819
Molecular FormulaC13H18N4O4S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC Name8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nn2c(S(=O)(=O)N3CCC4(CC3)OCCO4)c(C)nc2s1
InChIInChI=1S/C13H18N4O4S2/c1-9-11(17-12(14-9)22-10(2)15-17)23(18,19)16-5-3-13(4-6-16)20-7-8-21-13/h3-8H2,1-2H3
InChIKeyKZGFZBPHRZCJNP-UHFFFAOYSA-N
XLogP0.94
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 53151819) is 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1nn2c(S(=O)(=O)N3CCC4(CC3)OCCO4)c(C)nc2s1.
What is the InChIKey of 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is KZGFZBPHRZCJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S2/c1-9-11(17-12(14-9)22-10(2)15-17)23(18,19)16-5-3-13(4-6-16)20-7-8-21-13/h3-8H2,1-2H3.
What are the key properties of 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 358.45 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 53151819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).