N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate

C16H17N3O5S — CID 173224592

IUPACN-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate
SMILESCC(=O)Nc1ccc2c(c1)c(N)c1ccccc1[n+]2C.O=S(=O)([O-])O
InChIInChI=1S/C16H15N3O.H2O4S/c1-10(20)18-11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)19(15)2;1-5(2,3)4/h3-9,17H,1-2H3,(H,18,20);(H2,1,2,3,4)
InChIKeyAZIHJYFGIKYAGH-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.36
Rot. Bonds1

About N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate

N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate (PubChem CID 173224592) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate.

Molecular Properties

Compound NameN-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate
PubChem CID173224592
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate
SMILESCC(=O)Nc1ccc2c(c1)c(N)c1ccccc1[n+]2C.O=S(=O)([O-])O
InChIInChI=1S/C16H15N3O.H2O4S/c1-10(20)18-11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)19(15)2;1-5(2,3)4/h3-9,17H,1-2H3,(H,18,20);(H2,1,2,3,4)
InChIKeyAZIHJYFGIKYAGH-UHFFFAOYSA-N
XLogP1.36
TPSA136.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate?
The IUPAC name of N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate (CID 173224592) is N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate.
What is the SMILES notation for N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate?
The canonical SMILES for N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate is CC(=O)Nc1ccc2c(c1)c(N)c1ccccc1[n+]2C.O=S(=O)([O-])O.
What is the InChIKey of N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate?
The InChIKey is AZIHJYFGIKYAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.H2O4S/c1-10(20)18-11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)19(15)2;1-5(2,3)4/h3-9,17H,1-2H3,(H,18,20);(H2,1,2,3,4).
What are the key properties of N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate?
N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate has a molecular weight of 363.40 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-amino-10-methylacridin-10-ium-2-yl)acetamide;hydrogen sulfate is sourced from PubChem (CID 173224592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).