N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide

C14H17N3O3S — CID 114795590

IUPACN'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17N3O3S/c1-17(10-9-14(15)16-18)21(19,20)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,18H,9-10H2,1H3,(H2,15,16)
InChIKeyVZDHLKZWQDPDDF-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.60
Rot. Bonds5

About N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide (PubChem CID 114795590) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide
PubChem CID114795590
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17N3O3S/c1-17(10-9-14(15)16-18)21(19,20)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,18H,9-10H2,1H3,(H2,15,16)
InChIKeyVZDHLKZWQDPDDF-UHFFFAOYSA-N
XLogP1.60
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.60
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]naphthalene-2-sulfonamide
CID 2200900
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)naphthalene-2-sulfonamide
CID 4534398
N'-hydroxy-3-[[2-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]propanimidamide
CID 81626362
3-[Methyl-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]propanimidamide
CID 81628436
3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 112495212
3-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 112495214
N-butyl-N-methylnaphthalene-1-sulfonamide
CID 3314968
1-Naphthalenesulfonylaminoethylamine
CID 19972904
N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide
CID 51703058
N-ethyl-N-propylnaphthalene-1-sulfonamide
CID 58611895
2-[2-(Naphthalen-1-ylsulfonylamino)ethyl]guanidine
CID 59760812
N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide
CID 67872895

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide (CID 114795590) is N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide is CN(CC/C(N)=N/O)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide?
The InChIKey is VZDHLKZWQDPDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17(10-9-14(15)16-18)21(19,20)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,18H,9-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide has a molecular weight of 307.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 114795590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).