4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide

C13H21NO5S2 — CID 19737956

IUPAC4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOCCOC1CN(CCOC)S(=O)(=O)c2sccc21
InChIInChI=1S/C13H21NO5S2/c1-3-18-7-8-19-12-10-14(5-6-17-2)21(15,16)13-11(12)4-9-20-13/h4,9,12H,3,5-8,10H2,1-2H3
InChIKeyIXKUQNJPMZBKEN-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.49
Rot. Bonds8

About 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide

4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (PubChem CID 19737956) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
PubChem CID19737956
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC Name4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOCCOC1CN(CCOC)S(=O)(=O)c2sccc21
InChIInChI=1S/C13H21NO5S2/c1-3-18-7-8-19-12-10-14(5-6-17-2)21(15,16)13-11(12)4-9-20-13/h4,9,12H,3,5-8,10H2,1-2H3
InChIKeyIXKUQNJPMZBKEN-UHFFFAOYSA-N
XLogP1.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The IUPAC name of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (CID 19737956) is 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is CCOCCOC1CN(CCOC)S(=O)(=O)c2sccc21.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The InChIKey is IXKUQNJPMZBKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-3-18-7-8-19-12-10-14(5-6-17-2)21(15,16)13-11(12)4-9-20-13/h4,9,12H,3,5-8,10H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide has a molecular weight of 335.45 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-(2-methoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is sourced from PubChem (CID 19737956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).