N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide

C11H23IN4OS — CID 111024484

IUPACN'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCN1CCOCC1)N1CCSCC1
InChIInChI=1S/C11H22N4OS.HI/c12-11(15-5-9-17-10-6-15)13-1-2-14-3-7-16-8-4-14;/h1-10H2,(H2,12,13);1H
InChIKeyLECDVMKGGAVDTC-UHFFFAOYSA-N
MW386.30 g/mol
LogP0.30
Rot. Bonds3

About N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111024484) has the molecular formula C11H23IN4OS and a molecular weight of 386.30 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111024484
Molecular FormulaC11H23IN4OS
Molecular Weight386.30 g/mol
Exact Mass386.06
IUPAC NameN'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCN1CCOCC1)N1CCSCC1
InChIInChI=1S/C11H22N4OS.HI/c12-11(15-5-9-17-10-6-15)13-1-2-14-3-7-16-8-4-14;/h1-10H2,(H2,12,13);1H
InChIKeyLECDVMKGGAVDTC-UHFFFAOYSA-N
XLogP0.30
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
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-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide
CID 119120871
N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806077
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122082011
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110033020
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091687

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111024484) is N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCN1CCOCC1)N1CCSCC1.
What is the InChIKey of N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is LECDVMKGGAVDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS.HI/c12-11(15-5-9-17-10-6-15)13-1-2-14-3-7-16-8-4-14;/h1-10H2,(H2,12,13);1H.
What are the key properties of N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 386.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111024484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).