N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine

C10H16N4O3S — CID 139826107

IUPACN-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine
SMILESCC(C)CONN1CNc2ccncc2S1(=O)=O
InChIInChI=1S/C10H16N4O3S/c1-8(2)6-17-13-14-7-12-9-3-4-11-5-10(9)18(14,15)16/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyMWSVDQPGOHVTBR-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.55
Rot. Bonds4

About N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine

N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine (PubChem CID 139826107) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine
PubChem CID139826107
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine
SMILESCC(C)CONN1CNc2ccncc2S1(=O)=O
InChIInChI=1S/C10H16N4O3S/c1-8(2)6-17-13-14-7-12-9-3-4-11-5-10(9)18(14,15)16/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyMWSVDQPGOHVTBR-UHFFFAOYSA-N
XLogP0.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10658688
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10012589
4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10681576
3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 119084853
2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10035597
1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone
CID 96597656
N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75522492
N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine
CID 135400946
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
ethane;1-methyl-2,3-dihydroimidazo[4,5-c]pyridine
CID 143245746
2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 115589679

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine?
The IUPAC name of N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine (CID 139826107) is N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine.
What is the SMILES notation for N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine?
The canonical SMILES for N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine is CC(C)CONN1CNc2ccncc2S1(=O)=O.
What is the InChIKey of N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine?
The InChIKey is MWSVDQPGOHVTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-8(2)6-17-13-14-7-12-9-3-4-11-5-10(9)18(14,15)16/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine?
N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine has a molecular weight of 272.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine is sourced from PubChem (CID 139826107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).