N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C14H20N4O3S — CID 120600127

IUPACN-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC1CC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN1
InChIInChI=1S/C14H20N4O3S/c1-10-9-11(4-5-15-10)16-14(19)12-3-2-6-18-7-8-22(20,21)17-13(12)18/h2-3,6,10-11,15H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyXIASSLNJZFWDDS-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.26
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 120600127) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID120600127
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC1CC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN1
InChIInChI=1S/C14H20N4O3S/c1-10-9-11(4-5-15-10)16-14(19)12-3-2-6-18-7-8-22(20,21)17-13(12)18/h2-3,6,10-11,15H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyXIASSLNJZFWDDS-UHFFFAOYSA-N
XLogP-0.26
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 120600127) is N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CC1CC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is XIASSLNJZFWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10-9-11(4-5-15-10)16-14(19)12-3-2-6-18-7-8-22(20,21)17-13(12)18/h2-3,6,10-11,15H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 324.41 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 120600127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).