2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

C11H17NO4S2 — CID 19434070

IUPAC2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCCOCCCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-2-16-6-3-5-12-8-10(13)9-4-7-17-11(9)18(12,14)15/h4,7,10,13H,2-3,5-6,8H2,1H3
InChIKeyBVTSZLNJZWRKJV-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.21
Rot. Bonds5

About 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 19434070) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID19434070
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCCOCCCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-2-16-6-3-5-12-8-10(13)9-4-7-17-11(9)18(12,14)15/h4,7,10,13H,2-3,5-6,8H2,1H3
InChIKeyBVTSZLNJZWRKJV-UHFFFAOYSA-N
XLogP1.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 19434070) is 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is CCOCCCN1CC(O)c2ccsc2S1(=O)=O.
What is the InChIKey of 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is BVTSZLNJZWRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-2-16-6-3-5-12-8-10(13)9-4-7-17-11(9)18(12,14)15/h4,7,10,13H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 291.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 19434070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).