N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide

C15H22ClN3O2S — CID 119112887

IUPACN'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2S/c1-12-6-9-19(10-7-12)15(17)18-8-11-22(20,21)14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3,(H2,17,18)
InChIKeyGWBUSBPSQFGSFH-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.16
Rot. Bonds4

About N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 119112887) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID119112887
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC NameN'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2S/c1-12-6-9-19(10-7-12)15(17)18-8-11-22(20,21)14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3,(H2,17,18)
InChIKeyGWBUSBPSQFGSFH-UHFFFAOYSA-N
XLogP2.16
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.16
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'}

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Related Compounds

N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
CID 78761127
N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide
CID 86779416
N'-[2-(4-tert-butylphenyl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111806625
4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide
CID 110920535
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
N'-[2-(4-bromophenyl)sulfonylethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807903
1-tert-butyl-2-[2-(4-chlorophenyl)sulfonylethyl]guanidine
CID 119118963
[3-[2-(4-chlorophenyl)sulfonylethyl]-1,2,4-oxadiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53133834

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide (CID 119112887) is N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is GWBUSBPSQFGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c1-12-6-9-19(10-7-12)15(17)18-8-11-22(20,21)14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 343.88 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 119112887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).