2H-1λ4,2-benzothiazine 1-oxide

C8H7NOS — CID 54075749

IUPAC2H-1λ4,2-benzothiazine 1-oxide
SMILESO=S1NC=Cc2ccccc21
InChIInChI=1S/C8H7NOS/c10-11-8-4-2-1-3-7(8)5-6-9-11/h1-6,9H
InChIKeyMJNPHLBKHKJDEF-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.28
Rot. Bonds

About 2H-1λ4,2-benzothiazine 1-oxide

2H-1λ4,2-benzothiazine 1-oxide (PubChem CID 54075749) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2H-1λ4,2-benzothiazine 1-oxide.

Molecular Properties

Compound Name2H-1λ4,2-benzothiazine 1-oxide
PubChem CID54075749
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2H-1λ4,2-benzothiazine 1-oxide
SMILESO=S1NC=Cc2ccccc21
InChIInChI=1S/C8H7NOS/c10-11-8-4-2-1-3-7(8)5-6-9-11/h1-6,9H
InChIKeyMJNPHLBKHKJDEF-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-1λ4,2-benzothiazine 1-oxide?
The IUPAC name of 2H-1λ4,2-benzothiazine 1-oxide (CID 54075749) is 2H-1λ4,2-benzothiazine 1-oxide.
What is the SMILES notation for 2H-1λ4,2-benzothiazine 1-oxide?
The canonical SMILES for 2H-1λ4,2-benzothiazine 1-oxide is O=S1NC=Cc2ccccc21.
What is the InChIKey of 2H-1λ4,2-benzothiazine 1-oxide?
The InChIKey is MJNPHLBKHKJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-11-8-4-2-1-3-7(8)5-6-9-11/h1-6,9H.
What are the key properties of 2H-1λ4,2-benzothiazine 1-oxide?
2H-1λ4,2-benzothiazine 1-oxide has a molecular weight of 165.22 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1λ4,2-benzothiazine 1-oxide is sourced from PubChem (CID 54075749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).