N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide

C16H33IN6S2 — CID 110062202

IUPACN'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCCC/N=C(\N)N1CCSCC1)N1CCSCC1
InChIInChI=1S/C16H32N6S2.HI/c17-15(21-7-11-23-12-8-21)19-5-3-1-2-4-6-20-16(18)22-9-13-24-14-10-22;/h1-14H2,(H2,17,19)(H2,18,20);1H
InChIKeyMGTCQGVFKDSNGG-UHFFFAOYSA-N
MW500.52 g/mol
LogP1.89
Rot. Bonds7

About N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 110062202) has the molecular formula C16H33IN6S2 and a molecular weight of 500.52 g/mol. Its IUPAC name is N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID110062202
Molecular FormulaC16H33IN6S2
Molecular Weight500.52 g/mol
Exact Mass500.13
IUPAC NameN'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCCC/N=C(\N)N1CCSCC1)N1CCSCC1
InChIInChI=1S/C16H32N6S2.HI/c17-15(21-7-11-23-12-8-21)19-5-3-1-2-4-6-20-16(18)22-9-13-24-14-10-22;/h1-14H2,(H2,17,19)(H2,18,20);1H
InChIKeyMGTCQGVFKDSNGG-UHFFFAOYSA-N
XLogP1.89
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091687
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111091688

Frequently Asked Questions

What is the IUPAC name of N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 110062202) is N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCCCC/N=C(\N)N1CCSCC1)N1CCSCC1.
What is the InChIKey of N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is MGTCQGVFKDSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6S2.HI/c17-15(21-7-11-23-12-8-21)19-5-3-1-2-4-6-20-16(18)22-9-13-24-14-10-22;/h1-14H2,(H2,17,19)(H2,18,20);1H.
What are the key properties of N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 500.52 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110062202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).