N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide

C13H17N3O3S — CID 100770768

IUPACN,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NC)ccc21
InChIInChI=1S/C13H17N3O3S/c1-4-7-16-9(2)15-20(18,19)12-8-10(13(17)14-3)5-6-11(12)16/h5-6,8H,4,7H2,1-3H3,(H,14,17)
InChIKeyQKMBDZRVGYVZKV-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.38
Rot. Bonds3

About N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide

N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide (PubChem CID 100770768) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
PubChem CID100770768
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NC)ccc21
InChIInChI=1S/C13H17N3O3S/c1-4-7-16-9(2)15-20(18,19)12-8-10(13(17)14-3)5-6-11(12)16/h5-6,8H,4,7H2,1-3H3,(H,14,17)
InChIKeyQKMBDZRVGYVZKV-UHFFFAOYSA-N
XLogP1.38
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 22587493
3-methyl-1,1-dioxo-N-pentyl-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100770851
N-(3,4-dimethylphenyl)-N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100770739
N-(4-bromo-2-ethyl-6-methylphenyl)-4-butyl-3-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100801761
methyl 4-(3-methyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133159007
3-methyl-4-(2-methylpropyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 92503303
3-methyl-N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,1-dioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100770948
3-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)-1,1-dioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 100771080
(4-butyl-3-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 22587532
4-methyl-N-[3-(3-methylphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]-3-(trifluoromethyl)benzamide
CID 83281894
N-[(2R)-butan-2-yl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
CID 25354584
2-methyl-N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]benzamide
CID 83289381

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
The IUPAC name of N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide (CID 100770768) is N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide.
What is the SMILES notation for N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
The canonical SMILES for N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide is CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NC)ccc21.
What is the InChIKey of N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
The InChIKey is QKMBDZRVGYVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-7-16-9(2)15-20(18,19)12-8-10(13(17)14-3)5-6-11(12)16/h5-6,8H,4,7H2,1-3H3,(H,14,17).
What are the key properties of N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide?
N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazine-7-carboxamide is sourced from PubChem (CID 100770768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).