N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H26IN3S — CID 111072540

IUPACN'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CC2CCC1C2)N1CCSCC1
InChIInChI=1S/C14H25N3S.HI/c15-14(17-5-7-18-8-6-17)16-4-3-13-10-11-1-2-12(13)9-11;/h11-13H,1-10H2,(H2,15,16);1H
InChIKeyZSKKKKTYVOTJFZ-UHFFFAOYSA-N
MW395.35 g/mol
LogP2.79
Rot. Bonds3

About N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111072540) has the molecular formula C14H26IN3S and a molecular weight of 395.35 g/mol. Its IUPAC name is N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111072540
Molecular FormulaC14H26IN3S
Molecular Weight395.35 g/mol
Exact Mass395.09
IUPAC NameN'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CC2CCC1C2)N1CCSCC1
InChIInChI=1S/C14H25N3S.HI/c15-14(17-5-7-18-8-6-17)16-4-3-13-10-11-1-2-12(13)9-11;/h11-13H,1-10H2,(H2,15,16);1H
InChIKeyZSKKKKTYVOTJFZ-UHFFFAOYSA-N
XLogP2.79
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-bicyclo[2.2.1]heptanyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111072508
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119119557
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
N'-(2-bicyclo[2.2.1]heptanylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120739
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 122096518
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111099263
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111072540) is N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCC1CC2CCC1C2)N1CCSCC1.
What is the InChIKey of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is ZSKKKKTYVOTJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S.HI/c15-14(17-5-7-18-8-6-17)16-4-3-13-10-11-1-2-12(13)9-11;/h11-13H,1-10H2,(H2,15,16);1H.
What are the key properties of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 395.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111072540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).