N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide

C18H30IN3O2S — CID 111806625

IUPACN'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CC/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C18H29N3O2S.HI/c1-18(2,3)15-7-9-16(10-8-15)24(22,23)14-11-20-17(19)21-12-5-4-6-13-21;/h7-10H,4-6,11-14H2,1-3H3,(H2,19,20);1H
InChIKeyBGQZEJXJQGFGQC-UHFFFAOYSA-N
MW479.43 g/mol
LogP3.18
Rot. Bonds4

About N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111806625) has the molecular formula C18H30IN3O2S and a molecular weight of 479.43 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111806625
Molecular FormulaC18H30IN3O2S
Molecular Weight479.43 g/mol
Exact Mass479.11
IUPAC NameN'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CC/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C18H29N3O2S.HI/c1-18(2,3)15-7-9-16(10-8-15)24(22,23)14-11-20-17(19)21-12-5-4-6-13-21;/h7-10H,4-6,11-14H2,1-3H3,(H2,19,20);1H
InChIKeyBGQZEJXJQGFGQC-UHFFFAOYSA-N
XLogP3.18
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 53.18
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-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide
CID 86779416
2-[2-(4-tert-butylphenyl)sulfonylethyl]guanidine
CID 111108985
N'-[2-(4-tert-butylphenyl)sulfonylethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758742
N'-[2-(4-bromophenyl)sulfonylethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807903
N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
CID 119112887
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
N'-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119164664
N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
CID 111043818
N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956071

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide (CID 111806625) is N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide is CC(C)(C)c1ccc(S(=O)(=O)CC/N=C(\N)N2CCCCC2)cc1.I.
What is the InChIKey of N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is BGQZEJXJQGFGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S.HI/c1-18(2,3)15-7-9-16(10-8-15)24(22,23)14-11-20-17(19)21-12-5-4-6-13-21;/h7-10H,4-6,11-14H2,1-3H3,(H2,19,20);1H.
What are the key properties of N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 479.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111806625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).