N-phenylsulfanylquinolin-8-amine

C15H12N2S — CID 123285595

IUPACN-phenylsulfanylquinolin-8-amine
SMILESc1ccc(SNc2cccc3cccnc23)cc1
InChIInChI=1S/C15H12N2S/c1-2-8-13(9-3-1)18-17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H
InChIKeyCSMYWUNTPWWWBF-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.35
Rot. Bonds3

About N-phenylsulfanylquinolin-8-amine

N-phenylsulfanylquinolin-8-amine (PubChem CID 123285595) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-phenylsulfanylquinolin-8-amine.

Molecular Properties

Compound NameN-phenylsulfanylquinolin-8-amine
PubChem CID123285595
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC NameN-phenylsulfanylquinolin-8-amine
SMILESc1ccc(SNc2cccc3cccnc23)cc1
InChIInChI=1S/C15H12N2S/c1-2-8-13(9-3-1)18-17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H
InChIKeyCSMYWUNTPWWWBF-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-nitrophenyl)sulfanylquinolin-8-amine
CID 142610178
N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine
CID 164876762
N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876948
iridium(3+);1,10-phenanthroline
CID 175702049
N-quinolin-8-ylhydroxylamine
CID 22011433
N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876681
N-pyridin-2-ylquinolin-8-amine
CID 82537542
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-methoxyquinolin-8-amine
CID 143696561
1,1-bis(diphenylphosphanyl)-2-quinolin-8-ylhydrazine
CID 102053800
3-phenylsulfanyl-1,10-phenanthroline
CID 167351209
osmium;tris(1,10-phenanthroline)
CID 14251798

Frequently Asked Questions

What is the IUPAC name of N-phenylsulfanylquinolin-8-amine?
The IUPAC name of N-phenylsulfanylquinolin-8-amine (CID 123285595) is N-phenylsulfanylquinolin-8-amine.
What is the SMILES notation for N-phenylsulfanylquinolin-8-amine?
The canonical SMILES for N-phenylsulfanylquinolin-8-amine is c1ccc(SNc2cccc3cccnc23)cc1.
What is the InChIKey of N-phenylsulfanylquinolin-8-amine?
The InChIKey is CSMYWUNTPWWWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-8-13(9-3-1)18-17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H.
What are the key properties of N-phenylsulfanylquinolin-8-amine?
N-phenylsulfanylquinolin-8-amine has a molecular weight of 252.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylsulfanylquinolin-8-amine is sourced from PubChem (CID 123285595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).