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

C13H15N3O2S — CID 43581388

IUPAC8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine
SMILESNc1ccc(N2CCS(=O)(=O)CC2)c2ncccc12
InChIInChI=1S/C13H15N3O2S/c14-11-3-4-12(13-10(11)2-1-5-15-13)16-6-8-19(17,18)9-7-16/h1-5H,6-9,14H2
InChIKeyMHSLNLXXDWGOLC-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.05
Rot. Bonds1

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

8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine (PubChem CID 43581388) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine.

Molecular Properties

Compound Name8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine
PubChem CID43581388
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine
SMILESNc1ccc(N2CCS(=O)(=O)CC2)c2ncccc12
InChIInChI=1S/C13H15N3O2S/c14-11-3-4-12(13-10(11)2-1-5-15-13)16-6-8-19(17,18)9-7-16/h1-5H,6-9,14H2
InChIKeyMHSLNLXXDWGOLC-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

5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
CID 43581386
4-(5-aminoquinolin-8-yl)-1,4-diazepan-2-one
CID 65361499
8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine
CID 62774223
tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
CID 75537190
8-(2,6-dimethylmorpholin-4-yl)quinolin-5-amine
CID 43450053
1-(5-aminoquinolin-8-yl)piperidin-3-ol
CID 43502893
8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
CID 102882733
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
5-[4-(dimethylamino)piperidin-1-yl]quinolin-8-amine
CID 43585725
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
CID 114083554
5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
CID 62204659
(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine?
The IUPAC name of 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine (CID 43581388) is 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine.
What is the SMILES notation for 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine?
The canonical SMILES for 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine is Nc1ccc(N2CCS(=O)(=O)CC2)c2ncccc12.
What is the InChIKey of 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine?
The InChIKey is MHSLNLXXDWGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-11-3-4-12(13-10(11)2-1-5-15-13)16-6-8-19(17,18)9-7-16/h1-5H,6-9,14H2.
What are the key properties of 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine?
8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-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 8-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-5-amine is sourced from PubChem (CID 43581388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).