1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide

C11H27IN4O3S — CID 111895092

IUPAC1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCCCNS(=O)(=O)CC.I
InChIInChI=1S/C11H26N4O3S.HI/c1-4-18-10-9-14-11(12-3)13-7-6-8-15-19(16,17)5-2;/h15H,4-10H2,1-3H3,(H2,12,13,14);1H
InChIKeyZSEQUAIDAUEMAY-UHFFFAOYSA-N
MW422.33 g/mol
LogP0.14
Rot. Bonds10

About 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide

1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide (PubChem CID 111895092) has the molecular formula C11H27IN4O3S and a molecular weight of 422.33 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
PubChem CID111895092
Molecular FormulaC11H27IN4O3S
Molecular Weight422.33 g/mol
Exact Mass422.08
IUPAC Name1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCCCNS(=O)(=O)CC.I
InChIInChI=1S/C11H26N4O3S.HI/c1-4-18-10-9-14-11(12-3)13-7-6-8-15-19(16,17)5-2;/h15H,4-10H2,1-3H3,(H2,12,13,14);1H
InChIKeyZSEQUAIDAUEMAY-UHFFFAOYSA-N
XLogP0.14
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 50.14
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-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
1-(4-ethoxybutyl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 111946189
1-(4-ethoxybutyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895134
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111392351
1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111868210
1-(2-ethoxyethyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111896585
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111641989
1-(2-ethoxyethyl)-3-hexyl-2-methylguanidine
CID 111161505
1-(3-ethoxypropyl)-3-(2-ethylsulfonylethyl)-2-methylguanidine
CID 111222081
1-tert-butyl-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 110965748
1-(3-butoxypropyl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 111239303
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401731

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide (CID 111895092) is 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide is CCOCCN/C(=N\C)NCCCNS(=O)(=O)CC.I.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is ZSEQUAIDAUEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O3S.HI/c1-4-18-10-9-14-11(12-3)13-7-6-8-15-19(16,17)5-2;/h15H,4-10H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 422.33 g/mol, XLogP of 0.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111895092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).