6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

C11H15N3O3S — CID 12921371

IUPAC6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESCN(C)Cc1ccc2c(c1)NC(=O)N(C)S2(=O)=O
InChIInChI=1S/C11H15N3O3S/c1-13(2)7-8-4-5-10-9(6-8)12-11(15)14(3)18(10,16)17/h4-6H,7H2,1-3H3,(H,12,15)
InChIKeyPCCCXCALUKSCJB-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.91
Rot. Bonds2

About 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (PubChem CID 12921371) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
PubChem CID12921371
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESCN(C)Cc1ccc2c(c1)NC(=O)N(C)S2(=O)=O
InChIInChI=1S/C11H15N3O3S/c1-13(2)7-8-4-5-10-9(6-8)12-11(15)14(3)18(10,16)17/h4-6H,7H2,1-3H3,(H,12,15)
InChIKeyPCCCXCALUKSCJB-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The IUPAC name of 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CID 12921371) is 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is CN(C)Cc1ccc2c(c1)NC(=O)N(C)S2(=O)=O.
What is the InChIKey of 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The InChIKey is PCCCXCALUKSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-13(2)7-8-4-5-10-9(6-8)12-11(15)14(3)18(10,16)17/h4-6H,7H2,1-3H3,(H,12,15).
What are the key properties of 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one has a molecular weight of 269.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 12921371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).