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

C14H23NO5S2 — CID 19434047

IUPAC4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOC(C)OC1CN(C(C)OCC)S(=O)(=O)c2sccc21
InChIInChI=1S/C14H23NO5S2/c1-5-18-10(3)15-9-13(20-11(4)19-6-2)12-7-8-21-14(12)22(15,16)17/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeySGLRCLPFVJGMBL-UHFFFAOYSA-N
MW349.47 g/mol
LogP2.58
Rot. Bonds7

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

4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (PubChem CID 19434047) has the molecular formula C14H23NO5S2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
PubChem CID19434047
Molecular FormulaC14H23NO5S2
Molecular Weight349.47 g/mol
Exact Mass349.10
IUPAC Name4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOC(C)OC1CN(C(C)OCC)S(=O)(=O)c2sccc21
InChIInChI=1S/C14H23NO5S2/c1-5-18-10(3)15-9-13(20-11(4)19-6-2)12-7-8-21-14(12)22(15,16)17/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeySGLRCLPFVJGMBL-UHFFFAOYSA-N
XLogP2.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The IUPAC name of 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (CID 19434047) is 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.
What is the SMILES notation for 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The canonical SMILES for 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is CCOC(C)OC1CN(C(C)OCC)S(=O)(=O)c2sccc21.
What is the InChIKey of 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The InChIKey is SGLRCLPFVJGMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S2/c1-5-18-10(3)15-9-13(20-11(4)19-6-2)12-7-8-21-14(12)22(15,16)17/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide has a molecular weight of 349.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-2-(1-ethoxyethyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is sourced from PubChem (CID 19434047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).