N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide

C12H24IN3O3S — CID 120973772

IUPACN'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCS(=O)(=O)C1(C/N=C(\N)N2CCOCC2)CCCC1.I
InChIInChI=1S/C12H23N3O3S.HI/c1-19(16,17)12(4-2-3-5-12)10-14-11(13)15-6-8-18-9-7-15;/h2-10H2,1H3,(H2,13,14);1H
InChIKeyLYIMGMCUCZJCFA-UHFFFAOYSA-N
MW417.31 g/mol
LogP0.61
Rot. Bonds3

About N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120973772) has the molecular formula C12H24IN3O3S and a molecular weight of 417.31 g/mol. Its IUPAC name is N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120973772
Molecular FormulaC12H24IN3O3S
Molecular Weight417.31 g/mol
Exact Mass417.06
IUPAC NameN'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCS(=O)(=O)C1(C/N=C(\N)N2CCOCC2)CCCC1.I
InChIInChI=1S/C12H23N3O3S.HI/c1-19(16,17)12(4-2-3-5-12)10-14-11(13)15-6-8-18-9-7-15;/h2-10H2,1H3,(H2,13,14);1H
InChIKeyLYIMGMCUCZJCFA-UHFFFAOYSA-N
XLogP0.61
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 50.61
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]morpholine-4-carboximidamide;hydroiodide
CID 120558150
N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
CID 119120839
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662401
N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
CID 111752152
N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111809281
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
CID 111100374
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
CID 111818118
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 120973772) is N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide is CS(=O)(=O)C1(C/N=C(\N)N2CCOCC2)CCCC1.I.
What is the InChIKey of N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LYIMGMCUCZJCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S.HI/c1-19(16,17)12(4-2-3-5-12)10-14-11(13)15-6-8-18-9-7-15;/h2-10H2,1H3,(H2,13,14);1H.
What are the key properties of N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 417.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120973772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).