1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide

C9H23IN4O3S — CID 110976812

IUPAC1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NCCS(N)(=O)=O.I
InChIInChI=1S/C9H22N4O3S.HI/c1-3-11-9(12-5-4-7-16-2)13-6-8-17(10,14)15;/h3-8H2,1-2H3,(H2,10,14,15)(H2,11,12,13);1H
InChIKeyDYBQZJJBXDVSKY-UHFFFAOYSA-N
MW394.28 g/mol
LogP-0.52
Rot. Bonds8

About 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide

1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 110976812) has the molecular formula C9H23IN4O3S and a molecular weight of 394.28 g/mol. Its IUPAC name is 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID110976812
Molecular FormulaC9H23IN4O3S
Molecular Weight394.28 g/mol
Exact Mass394.05
IUPAC Name1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NCCS(N)(=O)=O.I
InChIInChI=1S/C9H22N4O3S.HI/c1-3-11-9(12-5-4-7-16-2)13-6-8-17(10,14)15;/h3-8H2,1-2H3,(H2,10,14,15)(H2,11,12,13);1H
InChIKeyDYBQZJJBXDVSKY-UHFFFAOYSA-N
XLogP-0.52
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-3-[3-(methanesulfonamido)propyl]-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110974594
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-(3-methoxypropyl)guanidine
CID 110974537
1-[2-(benzenesulfonyl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975276
1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine
CID 110941656
1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975626
1-ethyl-2-(3-methoxypropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110975570
1-ethyl-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111547876
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
1-(4,4-dimethylpentyl)-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111637964
1-ethyl-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110974384
2-(3-butoxypropyl)-1-(2-tert-butylsulfonylethyl)-3-ethylguanidine;hydroiodide
CID 111573470
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941605

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide (CID 110976812) is 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide is CCN/C(=N\CCCOC)NCCS(N)(=O)=O.I.
What is the InChIKey of 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is DYBQZJJBXDVSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S.HI/c1-3-11-9(12-5-4-7-16-2)13-6-8-17(10,14)15;/h3-8H2,1-2H3,(H2,10,14,15)(H2,11,12,13);1H.
What are the key properties of 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 394.28 g/mol, XLogP of -0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110976812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).