2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one

C15H20N2O4S — CID 19074376

IUPAC2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
SMILESO=C1CN(CCCN2CCOCC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H20N2O4S/c18-14-12-17(7-3-6-16-8-10-21-11-9-16)22(19,20)15-5-2-1-4-13(14)15/h1-2,4-5H,3,6-12H2
InChIKeyNJXGUVBCAJJFNN-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.60
Rot. Bonds4

About 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one

2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one (PubChem CID 19074376) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
PubChem CID19074376
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
SMILESO=C1CN(CCCN2CCOCC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H20N2O4S/c18-14-12-17(7-3-6-16-8-10-21-11-9-16)22(19,20)15-5-2-1-4-13(14)15/h1-2,4-5H,3,6-12H2
InChIKeyNJXGUVBCAJJFNN-UHFFFAOYSA-N
XLogP0.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one (CID 19074376) is 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one is O=C1CN(CCCN2CCOCC2)S(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one?
The InChIKey is NJXGUVBCAJJFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-14-12-17(7-3-6-16-8-10-21-11-9-16)22(19,20)15-5-2-1-4-13(14)15/h1-2,4-5H,3,6-12H2.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one?
2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one has a molecular weight of 324.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one is sourced from PubChem (CID 19074376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).