N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

C17H33IN4OS — CID 111911855

IUPACN'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(CN2CCOCC2)CCCCC1)N1CCSCC1
InChIInChI=1S/C17H32N4OS.HI/c18-16(21-8-12-23-13-9-21)19-14-17(4-2-1-3-5-17)15-20-6-10-22-11-7-20;/h1-15H2,(H2,18,19);1H
InChIKeyNDSOBKXFEZHEHT-UHFFFAOYSA-N
MW468.45 g/mol
LogP2.25
Rot. Bonds4

About N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111911855) has the molecular formula C17H33IN4OS and a molecular weight of 468.45 g/mol. Its IUPAC name is N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111911855
Molecular FormulaC17H33IN4OS
Molecular Weight468.45 g/mol
Exact Mass468.14
IUPAC NameN'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(CN2CCOCC2)CCCCC1)N1CCSCC1
InChIInChI=1S/C17H32N4OS.HI/c18-16(21-8-12-23-13-9-21)19-14-17(4-2-1-3-5-17)15-20-6-10-22-11-7-20;/h1-15H2,(H2,18,19);1H
InChIKeyNDSOBKXFEZHEHT-UHFFFAOYSA-N
XLogP2.25
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 52.25
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'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide
CID 122097885
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide
CID 119164146
N'-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762790
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111911902
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
CID 111911840
N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111810423

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111911855) is N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1(CN2CCOCC2)CCCCC1)N1CCSCC1.
What is the InChIKey of N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is NDSOBKXFEZHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4OS.HI/c18-16(21-8-12-23-13-9-21)19-14-17(4-2-1-3-5-17)15-20-6-10-22-11-7-20;/h1-15H2,(H2,18,19);1H.
What are the key properties of N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 468.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111911855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).