3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide

C10H17N3O4S — CID 80518828

IUPAC3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCOCCc1noc(CC2CS(=O)(=O)CCN2)n1
InChIInChI=1S/C10H17N3O4S/c1-16-4-2-9-12-10(17-13-9)6-8-7-18(14,15)5-3-11-8/h8,11H,2-7H2,1H3
InChIKeyCEQUDMUJOKQRMW-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.81
Rot. Bonds5

About 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide

3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80518828) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80518828
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCOCCc1noc(CC2CS(=O)(=O)CCN2)n1
InChIInChI=1S/C10H17N3O4S/c1-16-4-2-9-12-10(17-13-9)6-8-7-18(14,15)5-3-11-8/h8,11H,2-7H2,1H3
InChIKeyCEQUDMUJOKQRMW-UHFFFAOYSA-N
XLogP-0.81
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide (CID 80518828) is 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide is COCCc1noc(CC2CS(=O)(=O)CCN2)n1.
What is the InChIKey of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is CEQUDMUJOKQRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-16-4-2-9-12-10(17-13-9)6-8-7-18(14,15)5-3-11-8/h8,11H,2-7H2,1H3.
What are the key properties of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide?
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.33 g/mol, XLogP of -0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80518828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).