1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide

C15H34IN5O3S — CID 111935782

IUPAC1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCS(N)(=O)=O.I
InChIInChI=1S/C15H33N5O3S.HI/c1-4-17-15(18-5-10-24(16,21)22)19-12-14(11-13(2)3)20-6-8-23-9-7-20;/h13-14H,4-12H2,1-3H3,(H2,16,21,22)(H2,17,18,19);1H
InChIKeyCHHWTRHTGQBGRB-UHFFFAOYSA-N
MW491.44 g/mol
LogP0.19
Rot. Bonds9

About 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 111935782) has the molecular formula C15H34IN5O3S and a molecular weight of 491.44 g/mol. Its IUPAC name is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID111935782
Molecular FormulaC15H34IN5O3S
Molecular Weight491.44 g/mol
Exact Mass491.14
IUPAC Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCS(N)(=O)=O.I
InChIInChI=1S/C15H33N5O3S.HI/c1-4-17-15(18-5-10-24(16,21)22)19-12-14(11-13(2)3)20-6-8-23-9-7-20;/h13-14H,4-12H2,1-3H3,(H2,16,21,22)(H2,17,18,19);1H
InChIKeyCHHWTRHTGQBGRB-UHFFFAOYSA-N
XLogP0.19
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064
1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine
CID 111936761
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111935886
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111935040
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667553
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111935158
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111665395
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935563
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136538

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide (CID 111935782) is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide is CCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCS(N)(=O)=O.I.
What is the InChIKey of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is CHHWTRHTGQBGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O3S.HI/c1-4-17-15(18-5-10-24(16,21)22)19-12-14(11-13(2)3)20-6-8-23-9-7-20;/h13-14H,4-12H2,1-3H3,(H2,16,21,22)(H2,17,18,19);1H.
What are the key properties of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 491.44 g/mol, XLogP of 0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111935782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).