2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine

C12H15N3O4S — CID 143567205

IUPAC2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1nonc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O4S/c1-15(2)8-9-18-11-12(14-19-13-11)20(16,17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyOYPSUNYTMFUTKT-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.84
Rot. Bonds6

About 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine

2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine (PubChem CID 143567205) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine
PubChem CID143567205
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1nonc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O4S/c1-15(2)8-9-18-11-12(14-19-13-11)20(16,17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyOYPSUNYTMFUTKT-UHFFFAOYSA-N
XLogP0.84
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine (CID 143567205) is 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine is CN(C)CCOc1nonc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine?
The InChIKey is OYPSUNYTMFUTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-15(2)8-9-18-11-12(14-19-13-11)20(16,17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine?
2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine has a molecular weight of 297.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 143567205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).