N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide

C14H28IN3S — CID 111814755

IUPACN'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCC1CCCC1)N1CCSCC1
InChIInChI=1S/C14H27N3S.HI/c15-14(17-9-11-18-12-10-17)16-8-4-3-7-13-5-1-2-6-13;/h13H,1-12H2,(H2,15,16);1H
InChIKeyOOKRGJQMJWTJLF-UHFFFAOYSA-N
MW397.37 g/mol
LogP3.33
Rot. Bonds5

About N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111814755) has the molecular formula C14H28IN3S and a molecular weight of 397.37 g/mol. Its IUPAC name is N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111814755
Molecular FormulaC14H28IN3S
Molecular Weight397.37 g/mol
Exact Mass397.10
IUPAC NameN'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCC1CCCC1)N1CCSCC1
InChIInChI=1S/C14H27N3S.HI/c15-14(17-9-11-18-12-10-17)16-8-4-3-7-13-5-1-2-6-13;/h13H,1-12H2,(H2,15,16);1H
InChIKeyOOKRGJQMJWTJLF-UHFFFAOYSA-N
XLogP3.33
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 53.33
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'}

Analyze N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111814755) is N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCCC1CCCC1)N1CCSCC1.
What is the InChIKey of N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OOKRGJQMJWTJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S.HI/c15-14(17-9-11-18-12-10-17)16-8-4-3-7-13-5-1-2-6-13;/h13H,1-12H2,(H2,15,16);1H.
What are the key properties of N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111814755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).