N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C20H35IN4O2S — CID 109490437

IUPACN-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/Cc2ccccc2NS(C)(=O)=O)NCC)C1.I
InChIInChI=1S/C20H34N4O2S.HI/c1-5-12-20(3)13-9-14-24(16-20)19(21-6-2)22-15-17-10-7-8-11-18(17)23-27(4,25)26;/h7-8,10-11,23H,5-6,9,12-16H2,1-4H3,(H,21,22);1H
InChIKeyXABKVALPUGJIAG-UHFFFAOYSA-N
MW522.50 g/mol
LogP4.04
Rot. Bonds7

About N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490437) has the molecular formula C20H35IN4O2S and a molecular weight of 522.50 g/mol. Its IUPAC name is N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490437
Molecular FormulaC20H35IN4O2S
Molecular Weight522.50 g/mol
Exact Mass522.15
IUPAC NameN-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/Cc2ccccc2NS(C)(=O)=O)NCC)C1.I
InChIInChI=1S/C20H34N4O2S.HI/c1-5-12-20(3)13-9-14-24(16-20)19(21-6-2)22-15-17-10-7-8-11-18(17)23-27(4,25)26;/h7-8,10-11,23H,5-6,9,12-16H2,1-4H3,(H,21,22);1H
InChIKeyXABKVALPUGJIAG-UHFFFAOYSA-N
XLogP4.04
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.50
LogP ≤ 54.04
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488350
4-(2-chlorophenyl)-N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111177473
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490799
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-[2-(benzenesulfonyl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490656
N-ethyl-3-methyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490099
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N-ethyl-3-methyl-3-propyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490677
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 109490632
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 109490735
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 109490789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490437) is N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/Cc2ccccc2NS(C)(=O)=O)NCC)C1.I.
What is the InChIKey of N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is XABKVALPUGJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S.HI/c1-5-12-20(3)13-9-14-24(16-20)19(21-6-2)22-15-17-10-7-8-11-18(17)23-27(4,25)26;/h7-8,10-11,23H,5-6,9,12-16H2,1-4H3,(H,21,22);1H.
What are the key properties of N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 522.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).