8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

C12H18N2O5S — CID 2813382

IUPAC8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18N2O5S/c1-9-11(10(2)19-13-9)20(15,16)14-5-3-12(4-6-14)17-7-8-18-12/h3-8H2,1-2H3
InChIKeyUAWCUOHGQGVWOK-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.82
Rot. Bonds2

About 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 2813382) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID2813382
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18N2O5S/c1-9-11(10(2)19-13-9)20(15,16)14-5-3-12(4-6-14)17-7-8-18-12/h3-8H2,1-2H3
InChIKeyUAWCUOHGQGVWOK-UHFFFAOYSA-N
XLogP0.82
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 2813382) is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UAWCUOHGQGVWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9-11(10(2)19-13-9)20(15,16)14-5-3-12(4-6-14)17-7-8-18-12/h3-8H2,1-2H3.
What are the key properties of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 302.35 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 2813382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).