4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide

C15H24IN5O4S — CID 110920557

IUPAC4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.I
InChIInChI=1S/C15H23N5O4S.HI/c1-12-5-9-19(10-6-12)15(16)17-7-8-18-25(23,24)14-4-2-3-13(11-14)20(21)22;/h2-4,11-12,18H,5-10H2,1H3,(H2,16,17);1H
InChIKeyUVTOLSBJSXLPQI-UHFFFAOYSA-N
MW497.36 g/mol
LogP1.54
Rot. Bonds6

About 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110920557) has the molecular formula C15H24IN5O4S and a molecular weight of 497.36 g/mol. Its IUPAC name is 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110920557
Molecular FormulaC15H24IN5O4S
Molecular Weight497.36 g/mol
Exact Mass497.06
IUPAC Name4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.I
InChIInChI=1S/C15H23N5O4S.HI/c1-12-5-9-19(10-6-12)15(16)17-7-8-18-25(23,24)14-4-2-3-13(11-14)20(21)22;/h2-4,11-12,18H,5-10H2,1H3,(H2,16,17);1H
InChIKeyUVTOLSBJSXLPQI-UHFFFAOYSA-N
XLogP1.54
TPSA130.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993
N-ethyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443147
1-(4-ethylphenyl)-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111085250
1-cyclohexyl-3-ethyl-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110957515
1-ethyl-3-(2-methylcyclopropyl)-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111961266
N,2-diethyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485815
N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 120727815
1-(6-methylheptan-2-yl)-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine
CID 111085241
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111141006
1-ethyl-3-(3-methylbutan-2-yl)-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine
CID 111001011
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine
CID 111141007

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide (CID 110920557) is 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.I.
What is the InChIKey of 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UVTOLSBJSXLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S.HI/c1-12-5-9-19(10-6-12)15(16)17-7-8-18-25(23,24)14-4-2-3-13(11-14)20(21)22;/h2-4,11-12,18H,5-10H2,1H3,(H2,16,17);1H.
What are the key properties of 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 497.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).