4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide

C12H17NO5S — CID 70746832

IUPAC4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESCOc1ccc(OCCN2CCOCS2(=O)=O)cc1
InChIInChI=1S/C12H17NO5S/c1-16-11-2-4-12(5-3-11)18-9-7-13-6-8-17-10-19(13,14)15/h2-5H,6-10H2,1H3
InChIKeyKAMKRWSPBFYLSZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.69
Rot. Bonds5

About 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide

4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 70746832) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID70746832
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESCOc1ccc(OCCN2CCOCS2(=O)=O)cc1
InChIInChI=1S/C12H17NO5S/c1-16-11-2-4-12(5-3-11)18-9-7-13-6-8-17-10-19(13,14)15/h2-5H,6-10H2,1H3
InChIKeyKAMKRWSPBFYLSZ-UHFFFAOYSA-N
XLogP0.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide (CID 70746832) is 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide is COc1ccc(OCCN2CCOCS2(=O)=O)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is KAMKRWSPBFYLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-16-11-2-4-12(5-3-11)18-9-7-13-6-8-17-10-19(13,14)15/h2-5H,6-10H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 287.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 70746832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).