3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C12H17N3O2S — CID 110225881

IUPAC3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NC(C2CCNCC2)Nc2ccccc21
InChIInChI=1S/C12H17N3O2S/c16-18(17)11-4-2-1-3-10(11)14-12(15-18)9-5-7-13-8-6-9/h1-4,9,12-15H,5-8H2
InChIKeyCYNZTSUAYRRLHG-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.72
Rot. Bonds1

About 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 110225881) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID110225881
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NC(C2CCNCC2)Nc2ccccc21
InChIInChI=1S/C12H17N3O2S/c16-18(17)11-4-2-1-3-10(11)14-12(15-18)9-5-7-13-8-6-9/h1-4,9,12-15H,5-8H2
InChIKeyCYNZTSUAYRRLHG-UHFFFAOYSA-N
XLogP0.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110220064
(1,3-dimethylpyrazol-4-yl)-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220092
[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylphenyl)methanone
CID 110220177
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220087
(5-cyclopropyl-2-methylfuran-3-yl)-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220112
1-[4-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95800209
1-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-3-(4-ethylpiperazin-1-yl)propan-1-one
CID 95800226
3-[1-[(1-tert-butylpyrrol-3-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 43819000
3-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110220229
[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220104
3-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110220230
(2R)-1-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
CID 95800212

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 110225881) is 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NC(C2CCNCC2)Nc2ccccc21.
What is the InChIKey of 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is CYNZTSUAYRRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-18(17)11-4-2-1-3-10(11)14-12(15-18)9-5-7-13-8-6-9/h1-4,9,12-15H,5-8H2.
What are the key properties of 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 267.35 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 110225881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).