4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

C15H22N4O4S — CID 5152029

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C15H22N4O4S/c1-2-12-17-18-14(24-12)16-11(20)3-4-13(21)19-7-5-15(6-8-19)22-9-10-23-15/h2-10H2,1H3,(H,16,18,20)
InChIKeyATBXWUGOFKXBJX-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.18
Rot. Bonds5

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (PubChem CID 5152029) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
PubChem CID5152029
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C15H22N4O4S/c1-2-12-17-18-14(24-12)16-11(20)3-4-13(21)19-7-5-15(6-8-19)22-9-10-23-15/h2-10H2,1H3,(H,16,18,20)
InChIKeyATBXWUGOFKXBJX-UHFFFAOYSA-N
XLogP1.18
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CID 5152029) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is CCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The InChIKey is ATBXWUGOFKXBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-2-12-17-18-14(24-12)16-11(20)3-4-13(21)19-7-5-15(6-8-19)22-9-10-23-15/h2-10H2,1H3,(H,16,18,20).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide has a molecular weight of 354.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 5152029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).