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

C16H25N3O4S — CID 126468134

IUPAC(2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C
InChIInChI=1S/C16H25N3O4S/c1-11-6-4-7-12(2)19(11)16(20)14-10-13(15-8-5-9-23-15)17-24(21,22)18(14)3/h5,8-9,11-14,17H,4,6-7,10H2,1-3H3/t11?,12?,13-,14+/m0/s1
InChIKeyQWRCQGZGUYEQAN-CLRIEMFWSA-N
MW355.46 g/mol
LogP1.65
Rot. Bonds2

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

(2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone (PubChem CID 126468134) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
PubChem CID126468134
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C
InChIInChI=1S/C16H25N3O4S/c1-11-6-4-7-12(2)19(11)16(20)14-10-13(15-8-5-9-23-15)17-24(21,22)18(14)3/h5,8-9,11-14,17H,4,6-7,10H2,1-3H3/t11?,12?,13-,14+/m0/s1
InChIKeyQWRCQGZGUYEQAN-CLRIEMFWSA-N
XLogP1.65
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 (2,6-dimethylpiperidin-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
[(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
(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 16670792
(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
(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 22515298
5-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 19968166
(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 142711098
(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone
CID 110678673
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R,5S)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 16670992
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 2350620
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 3172877

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The IUPAC name of (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) is (2,6-dimethylpiperidin-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 (2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone is CC1CCCC(C)N1C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The InChIKey is QWRCQGZGUYEQAN-CLRIEMFWSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-11-6-4-7-12(2)19(11)16(20)14-10-13(15-8-5-9-23-15)17-24(21,22)18(14)3/h5,8-9,11-14,17H,4,6-7,10H2,1-3H3/t11?,12?,13-,14+/m0/s1.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
(2,6-dimethylpiperidin-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, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-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 126468134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).