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

C15H25NO5S2 — CID 19434130

IUPAC4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOCCCN1CC(OC(C)OCC)c2ccsc2S1(=O)=O
InChIInChI=1S/C15H25NO5S2/c1-4-19-9-6-8-16-11-14(21-12(3)20-5-2)13-7-10-22-15(13)23(16,17)18/h7,10,12,14H,4-6,8-9,11H2,1-3H3
InChIKeyJUJAKFWGSCURKQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.62
Rot. Bonds9

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

4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (PubChem CID 19434130) has the molecular formula C15H25NO5S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
PubChem CID19434130
Molecular FormulaC15H25NO5S2
Molecular Weight363.50 g/mol
Exact Mass363.12
IUPAC Name4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide
SMILESCCOCCCN1CC(OC(C)OCC)c2ccsc2S1(=O)=O
InChIInChI=1S/C15H25NO5S2/c1-4-19-9-6-8-16-11-14(21-12(3)20-5-2)13-7-10-22-15(13)23(16,17)18/h7,10,12,14H,4-6,8-9,11H2,1-3H3
InChIKeyJUJAKFWGSCURKQ-UHFFFAOYSA-N
XLogP2.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.62
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-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The IUPAC name of 4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide (CID 19434130) is 4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide.
What is the SMILES notation for 4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The canonical SMILES for 4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is CCOCCCN1CC(OC(C)OCC)c2ccsc2S1(=O)=O.
What is the InChIKey of 4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
The InChIKey is JUJAKFWGSCURKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5S2/c1-4-19-9-6-8-16-11-14(21-12(3)20-5-2)13-7-10-22-15(13)23(16,17)18/h7,10,12,14H,4-6,8-9,11H2,1-3H3.
What are the key properties of 4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide?
4-(1-ethoxyethoxy)-2-(3-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide has a molecular weight of 363.50 g/mol, XLogP of 2.62, 9 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-ethoxypropyl)-3,4-dihydrothieno[3,2-e]thiazine 1,1-dioxide is sourced from PubChem (CID 19434130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).