N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C14H28IN3O2S — CID 86786540

IUPACN'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCS(=O)(=O)CC2CCC2)C1.I
InChIInChI=1S/C14H27N3O2S.HI/c1-12-4-3-8-17(10-12)14(15)16-7-9-20(18,19)11-13-5-2-6-13;/h12-13H,2-11H2,1H3,(H2,15,16);1H
InChIKeyWYAQBZHTQWZEFW-UHFFFAOYSA-N
MW429.37 g/mol
LogP1.87
Rot. Bonds5

About N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 86786540) has the molecular formula C14H28IN3O2S and a molecular weight of 429.37 g/mol. Its IUPAC name is N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID86786540
Molecular FormulaC14H28IN3O2S
Molecular Weight429.37 g/mol
Exact Mass429.09
IUPAC NameN'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCS(=O)(=O)CC2CCC2)C1.I
InChIInChI=1S/C14H27N3O2S.HI/c1-12-4-3-8-17(10-12)14(15)16-7-9-20(18,19)11-13-5-2-6-13;/h12-13H,2-11H2,1H3,(H2,15,16);1H
InChIKeyWYAQBZHTQWZEFW-UHFFFAOYSA-N
XLogP1.87
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
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'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 86786541
N'-(2-tert-butylsulfonylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111812137
N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide
CID 119164683
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119119004
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 86786540) is N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CCS(=O)(=O)CC2CCC2)C1.I.
What is the InChIKey of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WYAQBZHTQWZEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S.HI/c1-12-4-3-8-17(10-12)14(15)16-7-9-20(18,19)11-13-5-2-6-13;/h12-13H,2-11H2,1H3,(H2,15,16);1H.
What are the key properties of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 429.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 86786540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).