2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine

C16H17NO4S — CID 10687103

IUPAC2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C16H17NO4S/c1-17(2)10-11-20-13-7-5-8-14-16(13)22(18,19)15-9-4-3-6-12(15)21-14/h3-9H,10-11H2,1-2H3
InChIKeyWNSRLYMBOYSDFG-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.57
Rot. Bonds4

About 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine

2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine (PubChem CID 10687103) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine
PubChem CID10687103
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C16H17NO4S/c1-17(2)10-11-20-13-7-5-8-14-16(13)22(18,19)15-9-4-3-6-12(15)21-14/h3-9H,10-11H2,1-2H3
InChIKeyWNSRLYMBOYSDFG-UHFFFAOYSA-N
XLogP2.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine (CID 10687103) is 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine is CN(C)CCOc1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine?
The InChIKey is WNSRLYMBOYSDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-17(2)10-11-20-13-7-5-8-14-16(13)22(18,19)15-9-4-3-6-12(15)21-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine?
2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine has a molecular weight of 319.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 10687103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).