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

C11H17N3O4S — CID 20958617

IUPAC8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C11H17N3O4S/c1-13-8-10(12-9-13)19(15,16)14-4-2-11(3-5-14)17-6-7-18-11/h8-9H,2-7H2,1H3
InChIKeyUVGXDJPXRSYFLQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.05
Rot. Bonds2

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

8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 20958617) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID20958617
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C11H17N3O4S/c1-13-8-10(12-9-13)19(15,16)14-4-2-11(3-5-14)17-6-7-18-11/h8-9H,2-7H2,1H3
InChIKeyUVGXDJPXRSYFLQ-UHFFFAOYSA-N
XLogP-0.05
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 20958617) is 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cn1cnc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UVGXDJPXRSYFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-13-8-10(12-9-13)19(15,16)14-4-2-11(3-5-14)17-6-7-18-11/h8-9H,2-7H2,1H3.
What are the key properties of 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 287.34 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 20958617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).