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

C14H22N4O3S — CID 119640306

IUPACN-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H22N4O3S/c1-3-14(15,4-2)10-16-13(19)11-6-5-7-18-8-9-22(20,21)17-12(11)18/h5-7H,3-4,8-10,15H2,1-2H3,(H,16,19)
InChIKeyQGHXNVLARZREHS-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.12
Rot. Bonds5

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

N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 119640306) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID119640306
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H22N4O3S/c1-3-14(15,4-2)10-16-13(19)11-6-5-7-18-8-9-22(20,21)17-12(11)18/h5-7H,3-4,8-10,15H2,1-2H3,(H,16,19)
InChIKeyQGHXNVLARZREHS-UHFFFAOYSA-N
XLogP0.12
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 119640306) is N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CCC(N)(CC)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is QGHXNVLARZREHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-14(15,4-2)10-16-13(19)11-6-5-7-18-8-9-22(20,21)17-12(11)18/h5-7H,3-4,8-10,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-(2-amino-2-ethylbutyl)-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 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 119640306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).