N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride

C14H21ClN4O3S — CID 119475097

IUPACN-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1
InChIInChI=1S/C14H20N4O3S.ClH/c15-10-3-5-11(6-4-10)16-14(19)12-2-1-7-18-8-9-22(20,21)17-13(12)18;/h1-2,7,10-11H,3-6,8-9,15H2,(H,16,19);1H
InChIKeyIDQSEIYIUMPIRX-UHFFFAOYSA-N
MW360.87 g/mol
LogP0.29
Rot. Bonds2

About N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride (PubChem CID 119475097) has the molecular formula C14H21ClN4O3S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
PubChem CID119475097
Molecular FormulaC14H21ClN4O3S
Molecular Weight360.87 g/mol
Exact Mass360.10
IUPAC NameN-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1
InChIInChI=1S/C14H20N4O3S.ClH/c15-10-3-5-11(6-4-10)16-14(19)12-2-1-7-18-8-9-22(20,21)17-13(12)18;/h1-2,7,10-11H,3-6,8-9,15H2,(H,16,19);1H
InChIKeyIDQSEIYIUMPIRX-UHFFFAOYSA-N
XLogP0.29
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78808193
N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 120600127
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid
CID 119171374
2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 51081159
N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78808676
3-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]-2-methylpropanoic acid
CID 119237007
2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777075
N-(2,5-dimethylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8776900
N-(2-benzamidophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55679576
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 100627963
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 100627997
N-(4-ethylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9115367

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride (CID 119475097) is N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The InChIKey is IDQSEIYIUMPIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S.ClH/c15-10-3-5-11(6-4-10)16-14(19)12-2-1-7-18-8-9-22(20,21)17-13(12)18;/h1-2,7,10-11H,3-6,8-9,15H2,(H,16,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride has a molecular weight of 360.87 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride is sourced from PubChem (CID 119475097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).