1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol

C10H13NO3S — CID 121199663

IUPAC1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol
SMILESCCN1c2ccccc2C(O)CS1(=O)=O
InChIInChI=1S/C10H13NO3S/c1-2-11-9-6-4-3-5-8(9)10(12)7-15(11,13)14/h3-6,10,12H,2,7H2,1H3
InChIKeyCOBZJTXAGZYYNA-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.89
Rot. Bonds1

About 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol

1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol (PubChem CID 121199663) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol.

Molecular Properties

Compound Name1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol
PubChem CID121199663
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol
SMILESCCN1c2ccccc2C(O)CS1(=O)=O
InChIInChI=1S/C10H13NO3S/c1-2-11-9-6-4-3-5-8(9)10(12)7-15(11,13)14/h3-6,10,12H,2,7H2,1H3
InChIKeyCOBZJTXAGZYYNA-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol?
The IUPAC name of 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol (CID 121199663) is 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol.
What is the SMILES notation for 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol?
The canonical SMILES for 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol is CCN1c2ccccc2C(O)CS1(=O)=O.
What is the InChIKey of 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol?
The InChIKey is COBZJTXAGZYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-11-9-6-4-3-5-8(9)10(12)7-15(11,13)14/h3-6,10,12H,2,7H2,1H3.
What are the key properties of 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol?
1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol has a molecular weight of 227.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol is sourced from PubChem (CID 121199663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).