N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide

C15H24IN3S — CID 111027125

IUPACN'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCSc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H23N3S.HI/c16-15(18-11-5-2-6-12-18)17-10-7-13-19-14-8-3-1-4-9-14;/h1,3-4,8-9H,2,5-7,10-13H2,(H2,16,17);1H
InChIKeyVZORGQLSSCNVAW-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.59
Rot. Bonds5

About N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide

N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111027125) has the molecular formula C15H24IN3S and a molecular weight of 405.35 g/mol. Its IUPAC name is N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111027125
Molecular FormulaC15H24IN3S
Molecular Weight405.35 g/mol
Exact Mass405.07
IUPAC NameN'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCSc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H23N3S.HI/c16-15(18-11-5-2-6-12-18)17-10-7-13-19-14-8-3-1-4-9-14;/h1,3-4,8-9H,2,5-7,10-13H2,(H2,16,17);1H
InChIKeyVZORGQLSSCNVAW-UHFFFAOYSA-N
XLogP3.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111027849
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-(2-phenylsulfanylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117550
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
CID 111806874
2-(3-phenylsulfanylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111027093
N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111810695
benzyl 5-[[amino(azepan-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 110028871

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111027125) is N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCSc1ccccc1)N1CCCCC1.
What is the InChIKey of N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is VZORGQLSSCNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S.HI/c16-15(18-11-5-2-6-12-18)17-10-7-13-19-14-8-3-1-4-9-14;/h1,3-4,8-9H,2,5-7,10-13H2,(H2,16,17);1H.
What are the key properties of N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide?
N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 405.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111027125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).