1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol

C9H11NO3S2 — CID 19737997

IUPAC1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESC=CCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C9H11NO3S2/c1-2-4-10-6-8(11)7-3-5-14-9(7)15(10,12)13/h2-3,5,8,11H,1,4,6H2
InChIKeyXZTSURVBNDZSMR-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.97
Rot. Bonds2

About 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol

1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 19737997) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID19737997
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Name1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESC=CCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C9H11NO3S2/c1-2-4-10-6-8(11)7-3-5-14-9(7)15(10,12)13/h2-3,5,8,11H,1,4,6H2
InChIKeyXZTSURVBNDZSMR-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 19737997) is 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol is C=CCN1CC(O)c2ccsc2S1(=O)=O.
What is the InChIKey of 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is XZTSURVBNDZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-2-4-10-6-8(11)7-3-5-14-9(7)15(10,12)13/h2-3,5,8,11H,1,4,6H2.
What are the key properties of 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 245.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 19737997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).