1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one

C10H11NO3S — CID 22424304

IUPAC1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
SMILESCCN1c2ccccc2C(=O)CS1(=O)=O
InChIInChI=1S/C10H11NO3S/c1-2-11-9-6-4-3-5-8(9)10(12)7-15(11,13)14/h3-6H,2,7H2,1H3
InChIKeyNFGUPHSBQSPLCC-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.04
Rot. Bonds1

About 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one

1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one (PubChem CID 22424304) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one.

Molecular Properties

Compound Name1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
PubChem CID22424304
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
SMILESCCN1c2ccccc2C(=O)CS1(=O)=O
InChIInChI=1S/C10H11NO3S/c1-2-11-9-6-4-3-5-8(9)10(12)7-15(11,13)14/h3-6H,2,7H2,1H3
InChIKeyNFGUPHSBQSPLCC-UHFFFAOYSA-N
XLogP1.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one?
The IUPAC name of 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one (CID 22424304) is 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one.
What is the SMILES notation for 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one?
The canonical SMILES for 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one is CCN1c2ccccc2C(=O)CS1(=O)=O.
What is the InChIKey of 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one?
The InChIKey is NFGUPHSBQSPLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-2-11-9-6-4-3-5-8(9)10(12)7-15(11,13)14/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one?
1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one has a molecular weight of 225.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dioxo-2λ6,1-benzothiazin-4-one is sourced from PubChem (CID 22424304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).