2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C15H17N3O4S — CID 7692565

IUPAC2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(COc1cccc2nsnc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H17N3O4S/c19-13(18-6-4-15(5-7-18)21-8-9-22-15)10-20-12-3-1-2-11-14(12)17-23-16-11/h1-3H,4-10H2
InChIKeyWPTDXTAEUQRASZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.44
Rot. Bonds3

About 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 7692565) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID7692565
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(COc1cccc2nsnc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H17N3O4S/c19-13(18-6-4-15(5-7-18)21-8-9-22-15)10-20-12-3-1-2-11-14(12)17-23-16-11/h1-3H,4-10H2
InChIKeyWPTDXTAEUQRASZ-UHFFFAOYSA-N
XLogP1.44
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone
CID 91650844
tert-butyl 4-[2-(2,1,3-benzothiadiazol-4-yloxy)acetyl]piperazine-1-carboxylate
CID 42571528
2-(4-chloro-2-methylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 17173653
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
CID 3244800
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 134060037
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892135
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone
CID 110436947

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 7692565) is 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(COc1cccc2nsnc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is WPTDXTAEUQRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-13(18-6-4-15(5-7-18)21-8-9-22-15)10-20-12-3-1-2-11-14(12)17-23-16-11/h1-3H,4-10H2.
What are the key properties of 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 335.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 7692565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).