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

C14H18N4O2S — CID 104774337

IUPAC3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C14H18N4O2S/c1-10-5-6-12(11-4-3-8-17-14(10)11)21(19,20)18(2)9-7-13(15)16/h3-6,8H,7,9H2,1-2H3,(H3,15,16)
InChIKeyRYZZVVKKGMATGZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.49
Rot. Bonds5

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

3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide (PubChem CID 104774337) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound Name3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
PubChem CID104774337
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C14H18N4O2S/c1-10-5-6-12(11-4-3-8-17-14(10)11)21(19,20)18(2)9-7-13(15)16/h3-6,8H,7,9H2,1-2H3,(H3,15,16)
InChIKeyRYZZVVKKGMATGZ-UHFFFAOYSA-N
XLogP1.49
TPSA100.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
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

4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
4-methyl-N-quinolin-6-ylbenzenesulfonamide
CID 268975
Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-8-quinolinyl-
CID 1069411
Lopac-I-1392
CID 6603882
2,4,6-trimethyl-N-[(2S)-1-(quinolin-5-ylamino)propan-2-yl]benzenesulfonamide
CID 57651538
2,4,6-Trimethyl-N-{(1S)-1-methyl-2-[(8-methylquinolin-5-yl)amino]ethyl}benzenesulfonamide
CID 57651564
4-Methyl-N-3-quinolinylbenzenesulfonamide
CID 588682
3-(N-(4-Amidosulfonylphenyl)aminomethyl)quinoline
CID 182334
N-(6-Methyl-quinolin-5-yl)-benzenesulfonamide
CID 650526
2,4-Dimethyl-5-[methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-4-yl-benzenesulfonamide
CID 2938236

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
The IUPAC name of 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide (CID 104774337) is 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
The canonical SMILES for 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide is [H]/N=C(\N)CCN(C)S(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
The InChIKey is RYZZVVKKGMATGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-5-6-12(11-4-3-8-17-14(10)11)21(19,20)18(2)9-7-13(15)16/h3-6,8H,7,9H2,1-2H3,(H3,15,16).
What are the key properties of 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide?
3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide has a molecular weight of 306.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 104774337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).