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

C14H22N4O3S — CID 78808676

IUPACN-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H22N4O3S/c1-3-17(4-2)9-7-15-14(19)12-6-5-8-18-10-11-22(20,21)16-13(12)18/h5-6,8H,3-4,7,9-11H2,1-2H3,(H,15,19)
InChIKeyKPHYEQLJJGRHGC-UHFFFAOYSA-N
MW326.42 g/mol
LogP-0.06
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 78808676) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID78808676
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H22N4O3S/c1-3-17(4-2)9-7-15-14(19)12-6-5-8-18-10-11-22(20,21)16-13(12)18/h5-6,8H,3-4,7,9-11H2,1-2H3,(H,15,19)
InChIKeyKPHYEQLJJGRHGC-UHFFFAOYSA-N
XLogP-0.06
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 78808676) is N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CCN(CC)CCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is KPHYEQLJJGRHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-17(4-2)9-7-15-14(19)12-6-5-8-18-10-11-22(20,21)16-13(12)18/h5-6,8H,3-4,7,9-11H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 326.42 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 78808676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).