2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile

C14H14N2O2S — CID 53337259

IUPAC2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile
SMILESCc1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O
InChIInChI=1S/C14H14N2O2S/c1-10-5-6-13-12(8-10)16-7-3-2-4-11(16)14(9-15)19(13,17)18/h5-6,8H,2-4,7H2,1H3
InChIKeyXUDFJOKJXXDBMO-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.51
Rot. Bonds

About 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile

2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile (PubChem CID 53337259) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile
PubChem CID53337259
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile
SMILESCc1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O
InChIInChI=1S/C14H14N2O2S/c1-10-5-6-13-12(8-10)16-7-3-2-4-11(16)14(9-15)19(13,17)18/h5-6,8H,2-4,7H2,1H3
InChIKeyXUDFJOKJXXDBMO-UHFFFAOYSA-N
XLogP2.51
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile?
The IUPAC name of 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile (CID 53337259) is 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile.
What is the SMILES notation for 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile?
The canonical SMILES for 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile is Cc1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O.
What is the InChIKey of 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile?
The InChIKey is XUDFJOKJXXDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-5-6-13-12(8-10)16-7-3-2-4-11(16)14(9-15)19(13,17)18/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile?
2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile has a molecular weight of 274.35 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,5-dioxo-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzothiazine-6-carbonitrile is sourced from PubChem (CID 53337259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).