N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide

C12H20IN3O2S — CID 111823918

IUPACN'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC(O)(C/N=C(\N)N1CCOCC1)c1ccsc1.I
InChIInChI=1S/C12H19N3O2S.HI/c1-12(16,10-2-7-18-8-10)9-14-11(13)15-3-5-17-6-4-15;/h2,7-8,16H,3-6,9H2,1H3,(H2,13,14);1H
InChIKeyCHYBFTTXVCBEEO-UHFFFAOYSA-N
MW397.28 g/mol
LogP1.22
Rot. Bonds3

About N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide

N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 111823918) has the molecular formula C12H20IN3O2S and a molecular weight of 397.28 g/mol. Its IUPAC name is N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID111823918
Molecular FormulaC12H20IN3O2S
Molecular Weight397.28 g/mol
Exact Mass397.03
IUPAC NameN'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC(O)(C/N=C(\N)N1CCOCC1)c1ccsc1.I
InChIInChI=1S/C12H19N3O2S.HI/c1-12(16,10-2-7-18-8-10)9-14-11(13)15-3-5-17-6-4-15;/h2,7-8,16H,3-6,9H2,1H3,(H2,13,14);1H
InChIKeyCHYBFTTXVCBEEO-UHFFFAOYSA-N
XLogP1.22
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide
CID 111823981
4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide
CID 111823913
tert-butyl 4-[N'-(2-hydroxy-2-thiophen-3-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111823945
N'-(2-hydroxy-2-thiophen-3-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119148462
N'-[2-(4-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111070095
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111655111
N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
CID 75511956
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111859849
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111096268
2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-propylguanidine
CID 111823975

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide (CID 111823918) is N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide is CC(O)(C/N=C(\N)N1CCOCC1)c1ccsc1.I.
What is the InChIKey of N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is CHYBFTTXVCBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.HI/c1-12(16,10-2-7-18-8-10)9-14-11(13)15-3-5-17-6-4-15;/h2,7-8,16H,3-6,9H2,1H3,(H2,13,14);1H.
What are the key properties of N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111823918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).