N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide

C12H14N4O3S — CID 104774115

IUPACN'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C12H14N4O3S/c1-16(8-12(13)15-17)20(18,19)11-6-2-5-10-9(11)4-3-7-14-10/h2-7,17H,8H2,1H3,(H2,13,15)
InChIKeyZNQAKGOZGQLCQP-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.60
Rot. Bonds4

About N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide (PubChem CID 104774115) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
PubChem CID104774115
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C12H14N4O3S/c1-16(8-12(13)15-17)20(18,19)11-6-2-5-10-9(11)4-3-7-14-10/h2-7,17H,8H2,1H3,(H2,13,15)
InChIKeyZNQAKGOZGQLCQP-UHFFFAOYSA-N
XLogP0.60
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
CID 113451725
N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 115902785
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-5-sulfonamide
CID 104774035
N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 104774274
N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide
CID 114795590
N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
CID 104773510
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122
2-[(2-amino-3-pyridinyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 65427602
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N,N-dimethyl-2-[methyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 115684021
2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide (CID 104774115) is N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide is CN(C/C(N)=N/O)S(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide?
The InChIKey is ZNQAKGOZGQLCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-16(8-12(13)15-17)20(18,19)11-6-2-5-10-9(11)4-3-7-14-10/h2-7,17H,8H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide has a molecular weight of 294.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 104774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).