4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

C14H24N2O7S3 — CID 134990488

IUPAC4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCOC(C)OC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H24N2O7S3/c1-4-22-10(2)23-12-9-16(6-5-7-21-3)26(19,20)14-11(12)8-13(24-14)25(15,17)18/h8,10,12H,4-7,9H2,1-3H3,(H2,15,17,18)
InChIKeyDBDCYWFFZGHQKH-UHFFFAOYSA-N
MW428.55 g/mol
LogP0.88
Rot. Bonds9

About 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 134990488) has the molecular formula C14H24N2O7S3 and a molecular weight of 428.55 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID134990488
Molecular FormulaC14H24N2O7S3
Molecular Weight428.55 g/mol
Exact Mass428.07
IUPAC Name4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCOC(C)OC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H24N2O7S3/c1-4-22-10(2)23-12-9-16(6-5-7-21-3)26(19,20)14-11(12)8-13(24-14)25(15,17)18/h8,10,12H,4-7,9H2,1-3H3,(H2,15,17,18)
InChIKeyDBDCYWFFZGHQKH-UHFFFAOYSA-N
XLogP0.88
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 134990488) is 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is CCOC(C)OC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is DBDCYWFFZGHQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O7S3/c1-4-22-10(2)23-12-9-16(6-5-7-21-3)26(19,20)14-11(12)8-13(24-14)25(15,17)18/h8,10,12H,4-7,9H2,1-3H3,(H2,15,17,18).
What are the key properties of 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 428.55 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 134990488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).