N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide

C15H31IN4S — CID 111809661

IUPACN'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCCN1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H30N4S.HI/c16-15(19-11-13-20-14-12-19)17-7-3-1-4-8-18-9-5-2-6-10-18;/h1-14H2,(H2,16,17);1H
InChIKeyOFGHHWZCQOYTCN-UHFFFAOYSA-N
MW426.41 g/mol
LogP2.62
Rot. Bonds6

About N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111809661) has the molecular formula C15H31IN4S and a molecular weight of 426.41 g/mol. Its IUPAC name is N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111809661
Molecular FormulaC15H31IN4S
Molecular Weight426.41 g/mol
Exact Mass426.13
IUPAC NameN'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCCN1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H30N4S.HI/c16-15(19-11-13-20-14-12-19)17-7-3-1-4-8-18-9-5-2-6-10-18;/h1-14H2,(H2,16,17);1H
InChIKeyOFGHHWZCQOYTCN-UHFFFAOYSA-N
XLogP2.62
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 52.62
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'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091687
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111091688
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755

Frequently Asked Questions

What is the IUPAC name of N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111809661) is N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCCCN1CCCCC1)N1CCSCC1.
What is the InChIKey of N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OFGHHWZCQOYTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S.HI/c16-15(19-11-13-20-14-12-19)17-7-3-1-4-8-18-9-5-2-6-10-18;/h1-14H2,(H2,16,17);1H.
What are the key properties of N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 426.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111809661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).