5-propylsulfonylquinolin-8-amine

C12H14N2O2S — CID 43449396

IUPAC5-propylsulfonylquinolin-8-amine
SMILESCCCS(=O)(=O)c1ccc(N)c2ncccc12
InChIInChI=1S/C12H14N2O2S/c1-2-8-17(15,16)11-6-5-10(13)12-9(11)4-3-7-14-12/h3-7H,2,8,13H2,1H3
InChIKeyYOZAODJPBLRPPT-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.00
Rot. Bonds3

About 5-propylsulfonylquinolin-8-amine

5-propylsulfonylquinolin-8-amine (PubChem CID 43449396) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-propylsulfonylquinolin-8-amine.

Molecular Properties

Compound Name5-propylsulfonylquinolin-8-amine
PubChem CID43449396
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-propylsulfonylquinolin-8-amine
SMILESCCCS(=O)(=O)c1ccc(N)c2ncccc12
InChIInChI=1S/C12H14N2O2S/c1-2-8-17(15,16)11-6-5-10(13)12-9(11)4-3-7-14-12/h3-7H,2,8,13H2,1H3
InChIKeyYOZAODJPBLRPPT-UHFFFAOYSA-N
XLogP2.00
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(propylsulfamoyl)quinoline-5,8-diamine
CID 114804992
5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
CID 104850310
5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine
CID 43382839
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
CID 104850488
5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol
CID 122441924
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
3-propylsulfonylpyridine-2-carboxylic acid
CID 129069140
5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
CID 104850505
5-methylsulfinylquinolin-8-amine
CID 164876860
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
CID 63402856
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423

Frequently Asked Questions

What is the IUPAC name of 5-propylsulfonylquinolin-8-amine?
The IUPAC name of 5-propylsulfonylquinolin-8-amine (CID 43449396) is 5-propylsulfonylquinolin-8-amine.
What is the SMILES notation for 5-propylsulfonylquinolin-8-amine?
The canonical SMILES for 5-propylsulfonylquinolin-8-amine is CCCS(=O)(=O)c1ccc(N)c2ncccc12.
What is the InChIKey of 5-propylsulfonylquinolin-8-amine?
The InChIKey is YOZAODJPBLRPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-8-17(15,16)11-6-5-10(13)12-9(11)4-3-7-14-12/h3-7H,2,8,13H2,1H3.
What are the key properties of 5-propylsulfonylquinolin-8-amine?
5-propylsulfonylquinolin-8-amine has a molecular weight of 250.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfonylquinolin-8-amine is sourced from PubChem (CID 43449396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).