2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide

C25H40N4O3S — CID 46879580

IUPAC2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O
InChIInChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
InChIKeyRZDUOQROGWWVSU-UHFFFAOYSA-N
MW476.69 g/mol
LogP3.66
Rot. Bonds4

About 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide

2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide (PubChem CID 46879580) has the molecular formula C25H40N4O3S and a molecular weight of 476.69 g/mol. Its IUPAC name is 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide
PubChem CID46879580
Molecular FormulaC25H40N4O3S
Molecular Weight476.69 g/mol
Exact Mass476.28
IUPAC Name2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O
InChIInChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
InChIKeyRZDUOQROGWWVSU-UHFFFAOYSA-N
XLogP3.66
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide (CID 46879580) is 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide is CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O.
What is the InChIKey of 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide?
The InChIKey is RZDUOQROGWWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30).
What are the key properties of 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide?
2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide has a molecular weight of 476.69 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-4H-2λ6,1,3-benzothiadiazin-3-yl]-N-methylacetamide is sourced from PubChem (CID 46879580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).