N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide

C17H28N4O3S — CID 111072739

IUPACN'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOCCNS(=O)(=O)c1ccc(C/N=C(\N)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H28N4O3S/c1-14-4-3-10-21(13-14)17(18)19-12-15-5-7-16(8-6-15)25(22,23)20-9-11-24-2/h5-8,14,20H,3-4,9-13H2,1-2H3,(H2,18,19)
InChIKeyHPHVXLCNFVCDON-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.16
Rot. Bonds7

About N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111072739) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111072739
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOCCNS(=O)(=O)c1ccc(C/N=C(\N)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H28N4O3S/c1-14-4-3-10-21(13-14)17(18)19-12-15-5-7-16(8-6-15)25(22,23)20-9-11-24-2/h5-8,14,20H,3-4,9-13H2,1-2H3,(H2,18,19)
InChIKeyHPHVXLCNFVCDON-UHFFFAOYSA-N
XLogP1.16
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N'-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111811655
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
N'-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]morpholine-4-carboximidamide
CID 111059251
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210070
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993
1-butyl-2-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine
CID 111072709
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048307
N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111066663
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine
CID 111072741

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 111072739) is N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide is COCCNS(=O)(=O)c1ccc(C/N=C(\N)N2CCCC(C)C2)cc1.
What is the InChIKey of N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is HPHVXLCNFVCDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-14-4-3-10-21(13-14)17(18)19-12-15-5-7-16(8-6-15)25(22,23)20-9-11-24-2/h5-8,14,20H,3-4,9-13H2,1-2H3,(H2,18,19).
What are the key properties of N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 368.50 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111072739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).