1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone

C12H17N3O3S — CID 71785104

IUPAC1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C12H17N3O3S/c1-9-10(19-14-13-9)11(16)15-5-3-12(4-6-15)17-7-2-8-18-12/h2-8H2,1H3
InChIKeyNOLIOXRCJJPBRI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.22
Rot. Bonds1

About 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71785104) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone
PubChem CID71785104
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C12H17N3O3S/c1-9-10(19-14-13-9)11(16)15-5-3-12(4-6-15)17-7-2-8-18-12/h2-8H2,1H3
InChIKeyNOLIOXRCJJPBRI-UHFFFAOYSA-N
XLogP1.22
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone (CID 71785104) is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is NOLIOXRCJJPBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-10(19-14-13-9)11(16)15-5-3-12(4-6-15)17-7-2-8-18-12/h2-8H2,1H3.
What are the key properties of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone?
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71785104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).