8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane

C11H17N3O3S — CID 68633184

IUPAC8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ncc[nH]1)N1CCC2(CCOC2)CC1
InChIInChI=1S/C11H17N3O3S/c15-18(16,10-12-4-5-13-10)14-6-1-11(2-7-14)3-8-17-9-11/h4-5H,1-3,6-9H2,(H,12,13)
InChIKeyOTSLDRFVPOYUGQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.60
Rot. Bonds2

About 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane

8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 68633184) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID68633184
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ncc[nH]1)N1CCC2(CCOC2)CC1
InChIInChI=1S/C11H17N3O3S/c15-18(16,10-12-4-5-13-10)14-6-1-11(2-7-14)3-8-17-9-11/h4-5H,1-3,6-9H2,(H,12,13)
InChIKeyOTSLDRFVPOYUGQ-UHFFFAOYSA-N
XLogP0.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane (CID 68633184) is 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane is O=S(=O)(c1ncc[nH]1)N1CCC2(CCOC2)CC1.
What is the InChIKey of 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is OTSLDRFVPOYUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c15-18(16,10-12-4-5-13-10)14-6-1-11(2-7-14)3-8-17-9-11/h4-5H,1-3,6-9H2,(H,12,13).
What are the key properties of 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane?
8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 271.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 68633184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).