[(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone

C16H25N3O4S — CID 95797686

IUPAC[(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C
InChIInChI=1S/C16H25N3O4S/c1-3-12-7-4-5-9-19(12)16(20)14-11-13(15-8-6-10-23-15)17-24(21,22)18(14)2/h6,8,10,12-14,17H,3-5,7,9,11H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyXXTJFHPDOXVJPP-HZSPNIEDSA-N
MW355.46 g/mol
LogP1.65
Rot. Bonds3

About [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone

[(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone (PubChem CID 95797686) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
PubChem CID95797686
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name[(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C
InChIInChI=1S/C16H25N3O4S/c1-3-12-7-4-5-9-19(12)16(20)14-11-13(15-8-6-10-23-15)17-24(21,22)18(14)2/h6,8,10,12-14,17H,3-5,7,9,11H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyXXTJFHPDOXVJPP-HZSPNIEDSA-N
XLogP1.65
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 16670788
(2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 126468134
(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 16670792
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
[(2S)-2-ethylpiperidin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135677951
[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 108990325
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
(3R,5S)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 46950438
1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
CID 2374328
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140356

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The IUPAC name of [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone (CID 95797686) is [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone.
What is the SMILES notation for [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The canonical SMILES for [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone is CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C.
What is the InChIKey of [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The InChIKey is XXTJFHPDOXVJPP-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-12-7-4-5-9-19(12)16(20)14-11-13(15-8-6-10-23-15)17-24(21,22)18(14)2/h6,8,10,12-14,17H,3-5,7,9,11H2,1-2H3/t12-,13+,14-/m1/s1.
What are the key properties of [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
[(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone has a molecular weight of 355.46 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone is sourced from PubChem (CID 95797686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).