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

C14H23NO5S2 — CID 59144209

IUPAC4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOC(C)OC1CN(CCCOC)S(=O)(=O)c2sccc21
InChIInChI=1S/C14H23NO5S2/c1-4-19-11(2)20-13-10-15(7-5-8-18-3)22(16,17)14-12(13)6-9-21-14/h6,9,11,13H,4-5,7-8,10H2,1-3H3
InChIKeyMAYWQOJBFWBDHF-UHFFFAOYSA-N
MW349.47 g/mol
LogP2.23
Rot. Bonds8

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

4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (PubChem CID 59144209) has the molecular formula C14H23NO5S2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
PubChem CID59144209
Molecular FormulaC14H23NO5S2
Molecular Weight349.47 g/mol
Exact Mass349.10
IUPAC Name4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOC(C)OC1CN(CCCOC)S(=O)(=O)c2sccc21
InChIInChI=1S/C14H23NO5S2/c1-4-19-11(2)20-13-10-15(7-5-8-18-3)22(16,17)14-12(13)6-9-21-14/h6,9,11,13H,4-5,7-8,10H2,1-3H3
InChIKeyMAYWQOJBFWBDHF-UHFFFAOYSA-N
XLogP2.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The IUPAC name of 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (CID 59144209) is 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.
What is the SMILES notation for 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The canonical SMILES for 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is CCOC(C)OC1CN(CCCOC)S(=O)(=O)c2sccc21.
What is the InChIKey of 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The InChIKey is MAYWQOJBFWBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S2/c1-4-19-11(2)20-13-10-15(7-5-8-18-3)22(16,17)14-12(13)6-9-21-14/h6,9,11,13H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide has a molecular weight of 349.47 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is sourced from PubChem (CID 59144209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).