1-ethylsulfanylacridin-9-amine

C15H14N2S — CID 13048104

IUPAC1-ethylsulfanylacridin-9-amine
SMILESCCSc1cccc2nc3ccccc3c(N)c12
InChIInChI=1S/C15H14N2S/c1-2-18-13-9-5-8-12-14(13)15(16)10-6-3-4-7-11(10)17-12/h3-9H,2H2,1H3,(H2,16,17)
InChIKeyKXQNAMDXFOHLKE-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.08
Rot. Bonds2

About 1-ethylsulfanylacridin-9-amine

1-ethylsulfanylacridin-9-amine (PubChem CID 13048104) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-ethylsulfanylacridin-9-amine.

Molecular Properties

Compound Name1-ethylsulfanylacridin-9-amine
PubChem CID13048104
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name1-ethylsulfanylacridin-9-amine
SMILESCCSc1cccc2nc3ccccc3c(N)c12
InChIInChI=1S/C15H14N2S/c1-2-18-13-9-5-8-12-14(13)15(16)10-6-3-4-7-11(10)17-12/h3-9H,2H2,1H3,(H2,16,17)
InChIKeyKXQNAMDXFOHLKE-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol
CID 71336174
3-(9-aminoacridin-1-yl)propane-1,1-diol
CID 87507623
acridin-9-amine;λ2-plumbane
CID 173496858
2,9-bis(ethylsulfanyl)acridine
CID 13048101
2-ethylsulfanyl-5-phenylaniline
CID 68787727
7-ethylsulfanylbenzo[c]acridine
CID 154133463
1-ethylsulfanylisoquinolin-5-amine
CID 164655092
(4-amino-3-ethylquinolin-2-yl)-dimethylazanium
CID 1394213
3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine
CID 910757
5-methyl-2-[(2-methylquinolin-4-yl)methylsulfanyl]aniline
CID 79230908
8-ethylsulfanyl-1,2-dimethylnaphthalene
CID 154317333
ethane;4-(2-ethylsulfanylphenyl)aniline
CID 142086543

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylacridin-9-amine?
The IUPAC name of 1-ethylsulfanylacridin-9-amine (CID 13048104) is 1-ethylsulfanylacridin-9-amine.
What is the SMILES notation for 1-ethylsulfanylacridin-9-amine?
The canonical SMILES for 1-ethylsulfanylacridin-9-amine is CCSc1cccc2nc3ccccc3c(N)c12.
What is the InChIKey of 1-ethylsulfanylacridin-9-amine?
The InChIKey is KXQNAMDXFOHLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-18-13-9-5-8-12-14(13)15(16)10-6-3-4-7-11(10)17-12/h3-9H,2H2,1H3,(H2,16,17).
What are the key properties of 1-ethylsulfanylacridin-9-amine?
1-ethylsulfanylacridin-9-amine has a molecular weight of 254.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylacridin-9-amine is sourced from PubChem (CID 13048104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).