[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C19H25N5O3S — CID 110220178

IUPAC[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C3Nc4ccccc4S(=O)(=O)N3)CC2)n[nH]1
InChIInChI=1S/C19H25N5O3S/c1-2-5-14-12-16(22-21-14)19(25)24-10-8-13(9-11-24)18-20-15-6-3-4-7-17(15)28(26,27)23-18/h3-4,6-7,12-13,18,20,23H,2,5,8-11H2,1H3,(H,21,22)
InChIKeyMDMUPDWANIOAPO-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.94
Rot. Bonds4

About [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 110220178) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID110220178
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C3Nc4ccccc4S(=O)(=O)N3)CC2)n[nH]1
InChIInChI=1S/C19H25N5O3S/c1-2-5-14-12-16(22-21-14)19(25)24-10-8-13(9-11-24)18-20-15-6-3-4-7-17(15)28(26,27)23-18/h3-4,6-7,12-13,18,20,23H,2,5,8-11H2,1H3,(H,21,22)
InChIKeyMDMUPDWANIOAPO-UHFFFAOYSA-N
XLogP1.94
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone with MolForge

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Related Compounds

1-(benzenesulfonyl)-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
CID 17406798
N-(2-fluorophenyl)-3-(1-((2-fluorophenyl)sulfonyl)piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 91628935
3-(1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)-N-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 91628936
N~1~-(4-{[4-(4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidino]sulfonyl}phenyl)propanamide
CID 53165395
N~1~-(4-{[4-(5-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidino]sulfonyl}phenyl)acetamide
CID 53165401
1-(3,4-Difluorobenzenesulfonyl)-4-(5-propyl-2H-pyrazole-3-carbonyl)piperazine
CID 16677764
N-[4-[2-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]sulfonylphenyl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 89524639
N-[[4-[2-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]sulfonylphenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 89524641
4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 34344239
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 47023319
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 47023321
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 47023323

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 110220178) is [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(C3Nc4ccccc4S(=O)(=O)N3)CC2)n[nH]1.
What is the InChIKey of [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is MDMUPDWANIOAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-2-5-14-12-16(22-21-14)19(25)24-10-8-13(9-11-24)18-20-15-6-3-4-7-17(15)28(26,27)23-18/h3-4,6-7,12-13,18,20,23H,2,5,8-11H2,1H3,(H,21,22).
What are the key properties of [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 403.51 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110220178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).