9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane

C13H21N3O3S — CID 71847495

IUPAC9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCc1nc(S(=O)(=O)N2CCOC3(CCCC3)C2)cn1C
InChIInChI=1S/C13H21N3O3S/c1-11-14-12(9-15(11)2)20(17,18)16-7-8-19-13(10-16)5-3-4-6-13/h9H,3-8,10H2,1-2H3
InChIKeyUOYQEMYLZVYHLK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.06
Rot. Bonds2

About 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane

9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71847495) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
PubChem CID71847495
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCc1nc(S(=O)(=O)N2CCOC3(CCCC3)C2)cn1C
InChIInChI=1S/C13H21N3O3S/c1-11-14-12(9-15(11)2)20(17,18)16-7-8-19-13(10-16)5-3-4-6-13/h9H,3-8,10H2,1-2H3
InChIKeyUOYQEMYLZVYHLK-UHFFFAOYSA-N
XLogP1.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane (CID 71847495) is 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane is Cc1nc(S(=O)(=O)N2CCOC3(CCCC3)C2)cn1C.
What is the InChIKey of 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is UOYQEMYLZVYHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-11-14-12(9-15(11)2)20(17,18)16-7-8-19-13(10-16)5-3-4-6-13/h9H,3-8,10H2,1-2H3.
What are the key properties of 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 299.40 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2-dimethylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71847495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).