4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

C8H12N2O5S3 — CID 18357855

IUPAC4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOC1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C8H12N2O5S3/c1-10-4-6(15-2)5-3-7(17(9,11)12)16-8(5)18(10,13)14/h3,6H,4H2,1-2H3,(H2,9,11,12)
InChIKeyIGNGKIGXOIWFGN-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.28
Rot. Bonds2

About 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 18357855) has the molecular formula C8H12N2O5S3 and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID18357855
Molecular FormulaC8H12N2O5S3
Molecular Weight312.39 g/mol
Exact Mass311.99
IUPAC Name4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOC1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C8H12N2O5S3/c1-10-4-6(15-2)5-3-7(17(9,11)12)16-8(5)18(10,13)14/h3,6H,4H2,1-2H3,(H2,9,11,12)
InChIKeyIGNGKIGXOIWFGN-UHFFFAOYSA-N
XLogP-0.28
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 18357855) is 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is COC1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is IGNGKIGXOIWFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S3/c1-10-4-6(15-2)5-3-7(17(9,11)12)16-8(5)18(10,13)14/h3,6H,4H2,1-2H3,(H2,9,11,12).
What are the key properties of 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 18357855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).