3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C18H25N5O2S — CID 110220197

IUPAC3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1nn(C)cc1CN1CCC(C2Nc3ccccc3S(=O)(=O)N2)CC1
InChIInChI=1S/C18H25N5O2S/c1-13-15(11-22(2)20-13)12-23-9-7-14(8-10-23)18-19-16-5-3-4-6-17(16)26(24,25)21-18/h3-6,11,14,18-19,21H,7-10,12H2,1-2H3
InChIKeyVLQLWZAZFAQFLV-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.67
Rot. Bonds3

About 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 110220197) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID110220197
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1nn(C)cc1CN1CCC(C2Nc3ccccc3S(=O)(=O)N2)CC1
InChIInChI=1S/C18H25N5O2S/c1-13-15(11-22(2)20-13)12-23-9-7-14(8-10-23)18-19-16-5-3-4-6-17(16)26(24,25)21-18/h3-6,11,14,18-19,21H,7-10,12H2,1-2H3
InChIKeyVLQLWZAZFAQFLV-UHFFFAOYSA-N
XLogP1.67
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

N-({1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-8-quinolinesulfonamide
CID 24818878
4-pyrazol-1-yl-N-[1-(4-pyridylmethyl)-4-piperidyl]benzenesulfonamide
CID 118714492
3-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 145971925
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 24793265
N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 24793948
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 6465837
1,3,5-trimethyl-N-((1-(pyridin-3-ylsulfonyl)piperidin-4-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 71806351
CID 134793623
CID 134793623
CID 134794296
CID 134794296
CID 134795376
CID 134795376
1-(difluoromethyl)-3-methyl-N-[2-(4-methylpiperidin-1-yl)benzyl]-1H-pyrazole-4-sulfonamide
CID 19615081
1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 46972181

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 110220197) is 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1nn(C)cc1CN1CCC(C2Nc3ccccc3S(=O)(=O)N2)CC1.
What is the InChIKey of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is VLQLWZAZFAQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-13-15(11-22(2)20-13)12-23-9-7-14(8-10-23)18-19-16-5-3-4-6-17(16)26(24,25)21-18/h3-6,11,14,18-19,21H,7-10,12H2,1-2H3.
What are the key properties of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 375.50 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 110220197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).