N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C12H24IN3OS — CID 110018690

IUPACN'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CCCCO1)N1CCSCC1
InChIInChI=1S/C12H23N3OS.HI/c13-12(15-6-9-17-10-7-15)14-5-4-11-3-1-2-8-16-11;/h11H,1-10H2,(H2,13,14);1H
InChIKeyJQFAXMMDARQBBU-UHFFFAOYSA-N
MW385.32 g/mol
LogP1.93
Rot. Bonds3

About N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 110018690) has the molecular formula C12H24IN3OS and a molecular weight of 385.32 g/mol. Its IUPAC name is N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID110018690
Molecular FormulaC12H24IN3OS
Molecular Weight385.32 g/mol
Exact Mass385.07
IUPAC NameN'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CCCCO1)N1CCSCC1
InChIInChI=1S/C12H23N3OS.HI/c13-12(15-6-9-17-10-7-15)14-5-4-11-3-1-2-8-16-11;/h11H,1-10H2,(H2,13,14);1H
InChIKeyJQFAXMMDARQBBU-UHFFFAOYSA-N
XLogP1.93
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110018760
4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
CID 110033267
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
CID 106000913
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110033350
tert-butyl 4-[N'-[3-(oxan-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 110033289
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111072540

Frequently Asked Questions

What is the IUPAC name of N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 110018690) is N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCC1CCCCO1)N1CCSCC1.
What is the InChIKey of N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is JQFAXMMDARQBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS.HI/c13-12(15-6-9-17-10-7-15)14-5-4-11-3-1-2-8-16-11;/h11H,1-10H2,(H2,13,14);1H.
What are the key properties of N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 385.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110018690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).