[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C17H20N4O3S — CID 95884982

IUPAC[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1Cc2ccccc2S(=O)(=O)N1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C17H20N4O3S/c22-17(21-9-5-12(6-10-21)16-18-7-8-19-16)14-11-13-3-1-2-4-15(13)25(23,24)20-14/h1-4,7-8,12,14,20H,5-6,9-11H2,(H,18,19)/t14-/m1/s1
InChIKeyHKGUJUAANKQZCL-CQSZACIVSA-N
MW360.44 g/mol
LogP1.02
Rot. Bonds2

About [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95884982) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID95884982
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1Cc2ccccc2S(=O)(=O)N1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C17H20N4O3S/c22-17(21-9-5-12(6-10-21)16-18-7-8-19-16)14-11-13-3-1-2-4-15(13)25(23,24)20-14/h1-4,7-8,12,14,20H,5-6,9-11H2,(H,18,19)/t14-/m1/s1
InChIKeyHKGUJUAANKQZCL-CQSZACIVSA-N
XLogP1.02
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70759660
(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 77084129
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690
8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70753899
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 110725800
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 95895283
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 70761206
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481474
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 74242488
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 95884982) is [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is O=C([C@H]1Cc2ccccc2S(=O)(=O)N1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HKGUJUAANKQZCL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(21-9-5-12(6-10-21)16-18-7-8-19-16)14-11-13-3-1-2-4-15(13)25(23,24)20-14/h1-4,7-8,12,14,20H,5-6,9-11H2,(H,18,19)/t14-/m1/s1.
What are the key properties of [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 360.44 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95884982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).