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

C10H16N2O5S4 — CID 19035802

IUPAC4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCSCCCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H16N2O5S4/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5,8,13H,2-4,6H2,1H3,(H2,11,14,15)
InChIKeyGPQXMPRUAMVZML-UHFFFAOYSA-N
MW372.52 g/mol
LogP0.19
Rot. Bonds5

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

4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 19035802) has the molecular formula C10H16N2O5S4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID19035802
Molecular FormulaC10H16N2O5S4
Molecular Weight372.52 g/mol
Exact Mass371.99
IUPAC Name4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCSCCCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H16N2O5S4/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5,8,13H,2-4,6H2,1H3,(H2,11,14,15)
InChIKeyGPQXMPRUAMVZML-UHFFFAOYSA-N
XLogP0.19
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 19035802) is 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is CSCCCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is GPQXMPRUAMVZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S4/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5,8,13H,2-4,6H2,1H3,(H2,11,14,15).
What are the key properties of 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 372.52 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 19035802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).