4H-1λ6,4-benzothiazine 1,1-dioxide

C8H7NO2S — CID 13013008

IUPAC4H-1λ6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)C=CNc2ccccc21
InChIInChI=1S/C8H7NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-6,9H
InChIKeyCRVYWVVSVFNOTI-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.36
Rot. Bonds

About 4H-1λ6,4-benzothiazine 1,1-dioxide

4H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 13013008) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 4H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name4H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID13013008
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name4H-1λ6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)C=CNc2ccccc21
InChIInChI=1S/C8H7NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-6,9H
InChIKeyCRVYWVVSVFNOTI-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 4H-1λ6,4-benzothiazine 1,1-dioxide (CID 13013008) is 4H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 4H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 4H-1λ6,4-benzothiazine 1,1-dioxide is O=S1(=O)C=CNc2ccccc21.
What is the InChIKey of 4H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is CRVYWVVSVFNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-6,9H.
What are the key properties of 4H-1λ6,4-benzothiazine 1,1-dioxide?
4H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 181.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 13013008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).