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

C18H31IN4O2S — CID 111210564

IUPACN-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNS(=O)(=O)c1ccc(C)cc1)N1CCC(C)CC1.I
InChIInChI=1S/C18H30N4O2S.HI/c1-4-19-18(22-13-9-16(3)10-14-22)20-11-12-21-25(23,24)17-7-5-15(2)6-8-17;/h5-8,16,21H,4,9-14H2,1-3H3,(H,19,20);1H
InChIKeyGKWZJEKENRTTMV-UHFFFAOYSA-N
MW494.44 g/mol
LogP2.59
Rot. Bonds6

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

N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111210564) has the molecular formula C18H31IN4O2S and a molecular weight of 494.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111210564
Molecular FormulaC18H31IN4O2S
Molecular Weight494.44 g/mol
Exact Mass494.12
IUPAC NameN-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNS(=O)(=O)c1ccc(C)cc1)N1CCC(C)CC1.I
InChIInChI=1S/C18H30N4O2S.HI/c1-4-19-18(22-13-9-16(3)10-14-22)20-11-12-21-25(23,24)17-7-5-15(2)6-8-17;/h5-8,16,21H,4,9-14H2,1-3H3,(H,19,20);1H
InChIKeyGKWZJEKENRTTMV-UHFFFAOYSA-N
XLogP2.59
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
N-ethyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426900
N-ethyl-4-(2-hydroxyphenyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide
CID 111185108
N-ethyl-4-(furan-2-carbonyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111167330
N'-[3-(benzenesulfonyl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111210234
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
1-tert-butyl-3-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110964568
N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485044
N'-[2-(benzenesulfonamido)ethyl]-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526123
N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427830
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211789
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111210564) is N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCNS(=O)(=O)c1ccc(C)cc1)N1CCC(C)CC1.I.
What is the InChIKey of N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is GKWZJEKENRTTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S.HI/c1-4-19-18(22-13-9-16(3)10-14-22)20-11-12-21-25(23,24)17-7-5-15(2)6-8-17;/h5-8,16,21H,4,9-14H2,1-3H3,(H,19,20);1H.
What are the key properties of N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 494.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111210564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).