3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide

C13H16N4O2S — CID 104774314

IUPAC3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C13H16N4O2S/c1-9-4-5-11(10-3-2-7-16-13(9)10)20(18,19)17-8-6-12(14)15/h2-5,7,17H,6,8H2,1H3,(H3,14,15)
InChIKeyNJFWHLVLLURJPN-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.15
Rot. Bonds5

About 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide

3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide (PubChem CID 104774314) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound Name3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
PubChem CID104774314
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C13H16N4O2S/c1-9-4-5-11(10-3-2-7-16-13(9)10)20(18,19)17-8-6-12(14)15/h2-5,7,17H,6,8H2,1H3,(H3,14,15)
InChIKeyNJFWHLVLLURJPN-UHFFFAOYSA-N
XLogP1.15
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774337
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254
2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide
CID 113451704
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
The IUPAC name of 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide (CID 104774314) is 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
The canonical SMILES for 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide is [H]/N=C(\N)CCNS(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
The InChIKey is NJFWHLVLLURJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-4-5-11(10-3-2-7-16-13(9)10)20(18,19)17-8-6-12(14)15/h2-5,7,17H,6,8H2,1H3,(H3,14,15).
What are the key properties of 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide has a molecular weight of 292.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 104774314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).