8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

C12H19N3O3S — CID 56889940

IUPAC8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCO3)CC2)c1
InChIInChI=1S/C12H19N3O3S/c1-14-9-11(13-10-14)19(16,17)15-6-4-12(5-7-15)3-2-8-18-12/h9-10H,2-8H2,1H3
InChIKeyVCAOOYZGIKXXIM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.75
Rot. Bonds2

About 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 56889940) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID56889940
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCO3)CC2)c1
InChIInChI=1S/C12H19N3O3S/c1-14-9-11(13-10-14)19(16,17)15-6-4-12(5-7-15)3-2-8-18-12/h9-10H,2-8H2,1H3
InChIKeyVCAOOYZGIKXXIM-UHFFFAOYSA-N
XLogP0.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 56889940) is 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is Cn1cnc(S(=O)(=O)N2CCC3(CCCO3)CC2)c1.
What is the InChIKey of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VCAOOYZGIKXXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14-9-11(13-10-14)19(16,17)15-6-4-12(5-7-15)3-2-8-18-12/h9-10H,2-8H2,1H3.
What are the key properties of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 285.37 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 56889940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).