5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine

C13H15N3O2S — CID 43581386

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
SMILESNc1ccc(N2CCS(=O)(=O)CC2)c2cccnc12
InChIInChI=1S/C13H15N3O2S/c14-11-3-4-12(10-2-1-5-15-13(10)11)16-6-8-19(17,18)9-7-16/h1-5H,6-9,14H2
InChIKeyIYLDXNHYPJCNMY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.05
Rot. Bonds1

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine

5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine (PubChem CID 43581386) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
PubChem CID43581386
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
SMILESNc1ccc(N2CCS(=O)(=O)CC2)c2cccnc12
InChIInChI=1S/C13H15N3O2S/c14-11-3-4-12(10-2-1-5-15-13(10)11)16-6-8-19(17,18)9-7-16/h1-5H,6-9,14H2
InChIKeyIYLDXNHYPJCNMY-UHFFFAOYSA-N
XLogP1.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine
CID 43581388
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
5-[4-(dimethylamino)piperidin-1-yl]quinolin-8-amine
CID 43585725
5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
CID 62204659
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610
2-(8-aminoquinolin-5-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104826611
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinolin-8-amine
CID 63150967
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine
CID 64575770
5-(3-methoxypiperidin-1-yl)quinolin-8-amine
CID 102955780
4-thiomorpholin-4-ylquinolin-8-amine
CID 83058354
2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
CID 104826612
5-(1,2,4-triazol-1-yl)quinolin-8-amine
CID 43449577

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine (CID 43581386) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine is Nc1ccc(N2CCS(=O)(=O)CC2)c2cccnc12.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine?
The InChIKey is IYLDXNHYPJCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-11-3-4-12(10-2-1-5-15-13(10)11)16-6-8-19(17,18)9-7-16/h1-5H,6-9,14H2.
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine?
5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine has a molecular weight of 277.35 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine is sourced from PubChem (CID 43581386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).