N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C16H26IN3O2S — CID 110920487

IUPACN'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCS(=O)(=O)c2ccccc2)CC1.I
InChIInChI=1S/C16H25N3O2S.HI/c1-14-8-11-19(12-9-14)16(17)18-10-5-13-22(20,21)15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H2,17,18);1H
InChIKeyKATZFFNGCBHZGE-UHFFFAOYSA-N
MW451.37 g/mol
LogP2.52
Rot. Bonds5

About N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110920487) has the molecular formula C16H26IN3O2S and a molecular weight of 451.37 g/mol. Its IUPAC name is N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110920487
Molecular FormulaC16H26IN3O2S
Molecular Weight451.37 g/mol
Exact Mass451.08
IUPAC NameN'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCS(=O)(=O)c2ccccc2)CC1.I
InChIInChI=1S/C16H25N3O2S.HI/c1-14-8-11-19(12-9-14)16(17)18-10-5-13-22(20,21)15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H2,17,18);1H
InChIKeyKATZFFNGCBHZGE-UHFFFAOYSA-N
XLogP2.52
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
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

N'-[3-(benzenesulfonyl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111210234
N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
CID 119112887
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
2-[3-(benzenesulfonyl)propyl]guanidine
CID 51131551
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 110920491
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
N'-(2-benzylsulfinylethyl)-4-methylpiperidine-1-carboximidamide
CID 111424439
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727

Frequently Asked Questions

What is the IUPAC name of N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110920487) is N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCCS(=O)(=O)c2ccccc2)CC1.I.
What is the InChIKey of N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is KATZFFNGCBHZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S.HI/c1-14-8-11-19(12-9-14)16(17)18-10-5-13-22(20,21)15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H2,17,18);1H.
What are the key properties of N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 451.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).