4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

C13H21N3O6S3 — CID 18357858

IUPAC4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOC1CN(CCN2CCOCC2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C13H21N3O6S3/c1-21-11-9-16(3-2-15-4-6-22-7-5-15)25(19,20)13-10(11)8-12(23-13)24(14,17)18/h8,11H,2-7,9H2,1H3,(H2,14,17,18)
InChIKeyYFFMZBLUGWFTKG-UHFFFAOYSA-N
MW411.53 g/mol
LogP-0.58
Rot. Bonds5

About 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 18357858) has the molecular formula C13H21N3O6S3 and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID18357858
Molecular FormulaC13H21N3O6S3
Molecular Weight411.53 g/mol
Exact Mass411.06
IUPAC Name4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOC1CN(CCN2CCOCC2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C13H21N3O6S3/c1-21-11-9-16(3-2-15-4-6-22-7-5-15)25(19,20)13-10(11)8-12(23-13)24(14,17)18/h8,11H,2-7,9H2,1H3,(H2,14,17,18)
InChIKeyYFFMZBLUGWFTKG-UHFFFAOYSA-N
XLogP-0.58
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 18357858) is 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is COC1CN(CCN2CCOCC2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is YFFMZBLUGWFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O6S3/c1-21-11-9-16(3-2-15-4-6-22-7-5-15)25(19,20)13-10(11)8-12(23-13)24(14,17)18/h8,11H,2-7,9H2,1H3,(H2,14,17,18).
What are the key properties of 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-morpholin-4-ylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 18357858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).