[(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone

C13H19F2N5O3S — CID 171523840

IUPAC[(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
SMILESCN1CCCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C13H19F2N5O3S/c1-17-4-2-5-20(24(17,22)23)11-7-13(14,15)9-19(8-11)12(21)18-6-3-16-10-18/h3,6,10-11H,2,4-5,7-9H2,1H3/t11-/m1/s1
InChIKeyQCODNPSMJAQSPG-LLVKDONJSA-N
MW363.39 g/mol
LogP0.44
Rot. Bonds1

About [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone

[(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone (PubChem CID 171523840) has the molecular formula C13H19F2N5O3S and a molecular weight of 363.39 g/mol. Its IUPAC name is [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
PubChem CID171523840
Molecular FormulaC13H19F2N5O3S
Molecular Weight363.39 g/mol
Exact Mass363.12
IUPAC Name[(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
SMILESCN1CCCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C13H19F2N5O3S/c1-17-4-2-5-20(24(17,22)23)11-7-13(14,15)9-19(8-11)12(21)18-6-3-16-10-18/h3,6,10-11H,2,4-5,7-9H2,1H3/t11-/m1/s1
InChIKeyQCODNPSMJAQSPG-LLVKDONJSA-N
XLogP0.44
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone with MolForge

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Related Compounds

1-[4-[2-(Trifluoromethyl)imidazol-1-yl]piperidin-1-yl]ethanone
CID 126758366
1-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 139544024
1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one
CID 171523798
3-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-1,3-oxazinan-2-one
CID 171523810
1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one
CID 171523823
(3,3-Difluoropiperidin-1-yl)-imidazol-1-ylmethanone
CID 171523885
[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone
CID 171523886
[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-(3-methylimidazol-3-ium-1-yl)methanone iodide
CID 171523933
[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-(3-methylimidazol-3-ium-1-yl)methanone
CID 171523934
[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
CID 171524202
[(5R)-3,3-difluoro-5-pyrrolidin-1-ylpiperidin-1-yl]-imidazol-1-ylmethanone
CID 176023964
ethane;imidazol-1-yl-[(1S)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 177183508

Frequently Asked Questions

What is the IUPAC name of [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone (CID 171523840) is [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone is CN1CCCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)S1(=O)=O.
What is the InChIKey of [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is QCODNPSMJAQSPG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19F2N5O3S/c1-17-4-2-5-20(24(17,22)23)11-7-13(14,15)9-19(8-11)12(21)18-6-3-16-10-18/h3,6,10-11H,2,4-5,7-9H2,1H3/t11-/m1/s1.
What are the key properties of [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
[(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 363.39 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 171523840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).