2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide

C12H19N3O2S — CID 63178097

IUPAC2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide
SMILESCC(C)/C(N)=N\CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O2S/c1-9(2)12(13)15-8-7-10-3-5-11(6-4-10)18(14,16)17/h3-6,9H,7-8H2,1-2H3,(H2,13,15)(H2,14,16,17)
InChIKeyFJJXGJPQHXNKBT-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.89
Rot. Bonds5

About 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide

2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide (PubChem CID 63178097) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide
PubChem CID63178097
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide
SMILESCC(C)/C(N)=N\CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O2S/c1-9(2)12(13)15-8-7-10-3-5-11(6-4-10)18(14,16)17/h3-6,9H,7-8H2,1-2H3,(H2,13,15)(H2,14,16,17)
InChIKeyFJJXGJPQHXNKBT-UHFFFAOYSA-N
XLogP0.89
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2,6-diethylphenyl)-2-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024282
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
4-(4-sulfamoylphenyl)butanamide
CID 145476026
1-amino-2-(2-methylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 116514314
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111024273
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111961390
4-acetyl-N-ethyl-N'-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110963164
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
8-(4-sulfamoylphenyl)octanamide
CID 67422603
4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
CID 63201446
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide (CID 63178097) is 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide is CC(C)/C(N)=N\CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide?
The InChIKey is FJJXGJPQHXNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(2)12(13)15-8-7-10-3-5-11(6-4-10)18(14,16)17/h3-6,9H,7-8H2,1-2H3,(H2,13,15)(H2,14,16,17).
What are the key properties of 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide?
2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide has a molecular weight of 269.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide is sourced from PubChem (CID 63178097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).