(4-thiomorpholin-4-ylquinolin-2-yl)methanamine

C14H17N3S — CID 63373907

IUPAC(4-thiomorpholin-4-ylquinolin-2-yl)methanamine
SMILESNCc1cc(N2CCSCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3S/c15-10-11-9-14(17-5-7-18-8-6-17)12-3-1-2-4-13(12)16-11/h1-4,9H,5-8,10,15H2
InChIKeyBIQPPPFWYHROJC-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.25
Rot. Bonds2

About (4-thiomorpholin-4-ylquinolin-2-yl)methanamine

(4-thiomorpholin-4-ylquinolin-2-yl)methanamine (PubChem CID 63373907) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is (4-thiomorpholin-4-ylquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(4-thiomorpholin-4-ylquinolin-2-yl)methanamine
PubChem CID63373907
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name(4-thiomorpholin-4-ylquinolin-2-yl)methanamine
SMILESNCc1cc(N2CCSCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3S/c15-10-11-9-14(17-5-7-18-8-6-17)12-3-1-2-4-13(12)16-11/h1-4,9H,5-8,10,15H2
InChIKeyBIQPPPFWYHROJC-UHFFFAOYSA-N
XLogP2.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-thiomorpholin-4-ylquinolin-2-yl)methanamine?
The IUPAC name of (4-thiomorpholin-4-ylquinolin-2-yl)methanamine (CID 63373907) is (4-thiomorpholin-4-ylquinolin-2-yl)methanamine.
What is the SMILES notation for (4-thiomorpholin-4-ylquinolin-2-yl)methanamine?
The canonical SMILES for (4-thiomorpholin-4-ylquinolin-2-yl)methanamine is NCc1cc(N2CCSCC2)c2ccccc2n1.
What is the InChIKey of (4-thiomorpholin-4-ylquinolin-2-yl)methanamine?
The InChIKey is BIQPPPFWYHROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-10-11-9-14(17-5-7-18-8-6-17)12-3-1-2-4-13(12)16-11/h1-4,9H,5-8,10,15H2.
What are the key properties of (4-thiomorpholin-4-ylquinolin-2-yl)methanamine?
(4-thiomorpholin-4-ylquinolin-2-yl)methanamine has a molecular weight of 259.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiomorpholin-4-ylquinolin-2-yl)methanamine is sourced from PubChem (CID 63373907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).