2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide

C12H25IN4O3S — CID 111962116

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCS(=O)(=O)N1CCOCC1)NC1CC1C.I
InChIInChI=1S/C12H24N4O3S.HI/c1-10-9-11(10)15-12(13-2)14-3-8-20(17,18)16-4-6-19-7-5-16;/h10-11H,3-9H2,1-2H3,(H2,13,14,15);1H
InChIKeyLKBYIEIJGWUIIE-UHFFFAOYSA-N
MW432.33 g/mol
LogP-0.16
Rot. Bonds5

About 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide

2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide (PubChem CID 111962116) has the molecular formula C12H25IN4O3S and a molecular weight of 432.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
PubChem CID111962116
Molecular FormulaC12H25IN4O3S
Molecular Weight432.33 g/mol
Exact Mass432.07
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCS(=O)(=O)N1CCOCC1)NC1CC1C.I
InChIInChI=1S/C12H24N4O3S.HI/c1-10-9-11(10)15-12(13-2)14-3-8-20(17,18)16-4-6-19-7-5-16;/h10-11H,3-9H2,1-2H3,(H2,13,14,15);1H
InChIKeyLKBYIEIJGWUIIE-UHFFFAOYSA-N
XLogP-0.16
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 5-0.16
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

1-tert-butyl-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine
CID 110965766
1-hexyl-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111161840
2-methyl-1-(3-methylbutyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine
CID 110978153
1-(3-cyclohexylpropyl)-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111947456
N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide
CID 111145570
1-[(3-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111876852
2-butyl-1-ethyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111152361
2-methyl-1-(oxan-4-ylmethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155543
2-methyl-1-(2-morpholin-4-ylsulfonylethyl)-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704506
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine
CID 111902403
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962521
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide (CID 111962116) is 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide is C/N=C(\NCCS(=O)(=O)N1CCOCC1)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The InChIKey is LKBYIEIJGWUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S.HI/c1-10-9-11(10)15-12(13-2)14-3-8-20(17,18)16-4-6-19-7-5-16;/h10-11H,3-9H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide has a molecular weight of 432.33 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111962116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).