4-thiomorpholin-4-ylquinolin-8-amine

C13H15N3S — CID 83058354

IUPAC4-thiomorpholin-4-ylquinolin-8-amine
SMILESNc1cccc2c(N3CCSCC3)ccnc12
InChIInChI=1S/C13H15N3S/c14-11-3-1-2-10-12(4-5-15-13(10)11)16-6-8-17-9-7-16/h1-5H,6-9,14H2
InChIKeyZMMBAHKTLAHSCS-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.37
Rot. Bonds1

About 4-thiomorpholin-4-ylquinolin-8-amine

4-thiomorpholin-4-ylquinolin-8-amine (PubChem CID 83058354) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-thiomorpholin-4-ylquinolin-8-amine.

Molecular Properties

Compound Name4-thiomorpholin-4-ylquinolin-8-amine
PubChem CID83058354
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-thiomorpholin-4-ylquinolin-8-amine
SMILESNc1cccc2c(N3CCSCC3)ccnc12
InChIInChI=1S/C13H15N3S/c14-11-3-1-2-10-12(4-5-15-13(10)11)16-6-8-17-9-7-16/h1-5H,6-9,14H2
InChIKeyZMMBAHKTLAHSCS-UHFFFAOYSA-N
XLogP2.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-4-ylquinolin-8-amine?
The IUPAC name of 4-thiomorpholin-4-ylquinolin-8-amine (CID 83058354) is 4-thiomorpholin-4-ylquinolin-8-amine.
What is the SMILES notation for 4-thiomorpholin-4-ylquinolin-8-amine?
The canonical SMILES for 4-thiomorpholin-4-ylquinolin-8-amine is Nc1cccc2c(N3CCSCC3)ccnc12.
What is the InChIKey of 4-thiomorpholin-4-ylquinolin-8-amine?
The InChIKey is ZMMBAHKTLAHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-11-3-1-2-10-12(4-5-15-13(10)11)16-6-8-17-9-7-16/h1-5H,6-9,14H2.
What are the key properties of 4-thiomorpholin-4-ylquinolin-8-amine?
4-thiomorpholin-4-ylquinolin-8-amine has a molecular weight of 245.35 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-4-ylquinolin-8-amine is sourced from PubChem (CID 83058354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).