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

C14H21NO5S — CID 70762192

IUPAC4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESCCCOc1ccc(OCCN2CCOCS2(=O)=O)cc1
InChIInChI=1S/C14H21NO5S/c1-2-9-19-13-3-5-14(6-4-13)20-11-8-15-7-10-18-12-21(15,16)17/h3-6H,2,7-12H2,1H3
InChIKeyQYDSVJODMZVSKH-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.47
Rot. Bonds7

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

4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 70762192) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID70762192
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESCCCOc1ccc(OCCN2CCOCS2(=O)=O)cc1
InChIInChI=1S/C14H21NO5S/c1-2-9-19-13-3-5-14(6-4-13)20-11-8-15-7-10-18-12-21(15,16)17/h3-6H,2,7-12H2,1H3
InChIKeyQYDSVJODMZVSKH-UHFFFAOYSA-N
XLogP1.47
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide (CID 70762192) is 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide is CCCOc1ccc(OCCN2CCOCS2(=O)=O)cc1.
What is the InChIKey of 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is QYDSVJODMZVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-2-9-19-13-3-5-14(6-4-13)20-11-8-15-7-10-18-12-21(15,16)17/h3-6H,2,7-12H2,1H3.
What are the key properties of 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 315.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propoxyphenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 70762192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).