(3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone

C12H16F2N4O3S — CID 136565493

IUPAC(3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone
SMILESCN1CCn2nc(C(=O)N3CCCC(F)(F)C3)cc2S1(=O)=O
InChIInChI=1S/C12H16F2N4O3S/c1-16-5-6-18-10(22(16,20)21)7-9(15-18)11(19)17-4-2-3-12(13,14)8-17/h7H,2-6,8H2,1H3
InChIKeyHQYXNSQQNRNFJZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.39
Rot. Bonds1

About (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone

(3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone (PubChem CID 136565493) has the molecular formula C12H16F2N4O3S and a molecular weight of 334.35 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone
PubChem CID136565493
Molecular FormulaC12H16F2N4O3S
Molecular Weight334.35 g/mol
Exact Mass334.09
IUPAC Name(3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone
SMILESCN1CCn2nc(C(=O)N3CCCC(F)(F)C3)cc2S1(=O)=O
InChIInChI=1S/C12H16F2N4O3S/c1-16-5-6-18-10(22(16,20)21)7-9(15-18)11(19)17-4-2-3-12(13,14)8-17/h7H,2-6,8H2,1H3
InChIKeyHQYXNSQQNRNFJZ-UHFFFAOYSA-N
XLogP0.39
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone (CID 136565493) is (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone is CN1CCn2nc(C(=O)N3CCCC(F)(F)C3)cc2S1(=O)=O.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone?
The InChIKey is HQYXNSQQNRNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O3S/c1-16-5-6-18-10(22(16,20)21)7-9(15-18)11(19)17-4-2-3-12(13,14)8-17/h7H,2-6,8H2,1H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone?
(3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone has a molecular weight of 334.35 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazin-7-yl)methanone is sourced from PubChem (CID 136565493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).