1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile

C9H6N2OS — CID 155294642

IUPAC1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile
SMILESN#Cc1cccc2c1S(=O)NC=C2
InChIInChI=1S/C9H6N2OS/c10-6-8-3-1-2-7-4-5-11-13(12)9(7)8/h1-5,11H
InChIKeyAJGIMVMOFQGEKA-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.15
Rot. Bonds

About 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile

1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile (PubChem CID 155294642) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile.

Molecular Properties

Compound Name1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile
PubChem CID155294642
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile
SMILESN#Cc1cccc2c1S(=O)NC=C2
InChIInChI=1S/C9H6N2OS/c10-6-8-3-1-2-7-4-5-11-13(12)9(7)8/h1-5,11H
InChIKeyAJGIMVMOFQGEKA-UHFFFAOYSA-N
XLogP1.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile?
The IUPAC name of 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile (CID 155294642) is 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile.
What is the SMILES notation for 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile?
The canonical SMILES for 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile is N#Cc1cccc2c1S(=O)NC=C2.
What is the InChIKey of 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile?
The InChIKey is AJGIMVMOFQGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c10-6-8-3-1-2-7-4-5-11-13(12)9(7)8/h1-5,11H.
What are the key properties of 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile?
1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile has a molecular weight of 190.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2H-1λ4,2-benzothiazine-8-carbonitrile is sourced from PubChem (CID 155294642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).