N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride

C12H19ClN4O3S — CID 119630347

IUPACN-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.Cl
InChIInChI=1S/C12H18N4O3S.ClH/c1-12(2,13)8-14-11(17)9-3-4-10-15-20(18,19)6-5-16(10)7-9;/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,17);1H
InChIKeyNJLYBSKSSXGHLS-UHFFFAOYSA-N
MW334.83 g/mol
LogP-0.24
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (PubChem CID 119630347) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
PubChem CID119630347
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC NameN-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.Cl
InChIInChI=1S/C12H18N4O3S.ClH/c1-12(2,13)8-14-11(17)9-3-4-10-15-20(18,19)6-5-16(10)7-9;/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,17);1H
InChIKeyNJLYBSKSSXGHLS-UHFFFAOYSA-N
XLogP-0.24
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 5-0.24
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-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (CID 119630347) is N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride is CC(C)(N)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The InChIKey is NJLYBSKSSXGHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S.ClH/c1-12(2,13)8-14-11(17)9-3-4-10-15-20(18,19)6-5-16(10)7-9;/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride has a molecular weight of 334.83 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride is sourced from PubChem (CID 119630347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).