1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide

C17H37IN4O3S — CID 109390421

IUPAC1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCOC1CC(N/C(=N/C)NCCCNS(=O)(=O)CC)C1(CC)CC.I
InChIInChI=1S/C17H36N4O3S.HI/c1-6-17(7-2)14(13-15(17)24-8-3)21-16(18-5)19-11-10-12-20-25(22,23)9-4;/h14-15,20H,6-13H2,1-5H3,(H2,18,19,21);1H
InChIKeyRMONPXLNYNQZLB-UHFFFAOYSA-N
MW504.48 g/mol
LogP2.08
Rot. Bonds11

About 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide

1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide (PubChem CID 109390421) has the molecular formula C17H37IN4O3S and a molecular weight of 504.48 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
PubChem CID109390421
Molecular FormulaC17H37IN4O3S
Molecular Weight504.48 g/mol
Exact Mass504.16
IUPAC Name1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCOC1CC(N/C(=N/C)NCCCNS(=O)(=O)CC)C1(CC)CC.I
InChIInChI=1S/C17H36N4O3S.HI/c1-6-17(7-2)14(13-15(17)24-8-3)21-16(18-5)19-11-10-12-20-25(22,23)9-4;/h14-15,20H,6-13H2,1-5H3,(H2,18,19,21);1H
InChIKeyRMONPXLNYNQZLB-UHFFFAOYSA-N
XLogP2.08
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.48
LogP ≤ 52.08
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'}

Analyze 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;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-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 109390295
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
CID 109390558
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine
CID 109390956
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 109390313
methyl 3-[[N-(3-ethoxy-2,2-diethylcyclobutyl)-N'-methylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 109390769
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-ethoxy-2,2-diethylcyclobutyl)-2-methylguanidine
CID 109390590
1-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 97242116
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 75432268
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]guanidine;hydroiodide
CID 109390373
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylguanidine;hydroiodide
CID 109390675
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxy-2,2-diethylcyclobutyl)-2-methylguanidine
CID 109390854
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 109390407

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide (CID 109390421) is 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide is CCOC1CC(N/C(=N/C)NCCCNS(=O)(=O)CC)C1(CC)CC.I.
What is the InChIKey of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is RMONPXLNYNQZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O3S.HI/c1-6-17(7-2)14(13-15(17)24-8-3)21-16(18-5)19-11-10-12-20-25(22,23)9-4;/h14-15,20H,6-13H2,1-5H3,(H2,18,19,21);1H.
What are the key properties of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide?
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 504.48 g/mol, XLogP of 2.08, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109390421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).