4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide

C15H21N5O3S — CID 24733947

IUPAC4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC2=NS(=O)(=O)c3ccccc3N2)CC1
InChIInChI=1S/C15H21N5O3S/c1-2-16-15(21)20-9-7-19(8-10-20)11-14-17-12-5-3-4-6-13(12)24(22,23)18-14/h3-6H,2,7-11H2,1H3,(H,16,21)(H,17,18)
InChIKeyUXGVMPJFRXUMJM-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.55
Rot. Bonds3

About 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide

4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 24733947) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide
PubChem CID24733947
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC2=NS(=O)(=O)c3ccccc3N2)CC1
InChIInChI=1S/C15H21N5O3S/c1-2-16-15(21)20-9-7-19(8-10-20)11-14-17-12-5-3-4-6-13(12)24(22,23)18-14/h3-6H,2,7-11H2,1H3,(H,16,21)(H,17,18)
InChIKeyUXGVMPJFRXUMJM-UHFFFAOYSA-N
XLogP0.55
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide with MolForge

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Related Compounds

4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 24733944
3-[(4-benzyl-1,4-diazepan-1-yl)methyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 24733795
1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 167799336
3-[[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 24734069
1-[4-[(1,1-dioxo-7-thiophen-2-yl-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 24734487
3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4132234
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
CID 20921954
2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 20902320
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 22588521
4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-(3-methoxypropyl)butanamide
CID 15996356
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-phenylethyl)butanamide
CID 126479089
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide
CID 50815505

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide (CID 24733947) is 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CC2=NS(=O)(=O)c3ccccc3N2)CC1.
What is the InChIKey of 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is UXGVMPJFRXUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-2-16-15(21)20-9-7-19(8-10-20)11-14-17-12-5-3-4-6-13(12)24(22,23)18-14/h3-6H,2,7-11H2,1H3,(H,16,21)(H,17,18).
What are the key properties of 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide?
4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 24733947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).