1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine

C13H28N4O3S — CID 111779063

IUPAC1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C13H28N4O3S/c1-3-14-13(15-7-9-20-2)16-8-10-21(18,19)17-11-12-5-4-6-12/h12,17H,3-11H2,1-2H3,(H2,14,15,16)
InChIKeyDAKLJKGCNMLGBE-UHFFFAOYSA-N
MW320.46 g/mol
LogP-0.09
Rot. Bonds10

About 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine

1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine (PubChem CID 111779063) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
PubChem CID111779063
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC Name1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C13H28N4O3S/c1-3-14-13(15-7-9-20-2)16-8-10-21(18,19)17-11-12-5-4-6-12/h12,17H,3-11H2,1-2H3,(H2,14,15,16)
InChIKeyDAKLJKGCNMLGBE-UHFFFAOYSA-N
XLogP-0.09
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 5-0.09
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'}

Analyze 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine 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

2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine
CID 111111986
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111785386
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111779281
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136923815
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111783809
2-cyclopentyl-N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110941327
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine;hydroiodide
CID 111783808
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-(3-methoxypropyl)guanidine
CID 110974537
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111786485
2-cyclopentyl-N-[2-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl]acetamide
CID 110975345
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111786484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine (CID 111779063) is 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine is CCN/C(=N\CCOC)NCCS(=O)(=O)NCC1CCC1.
What is the InChIKey of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine?
The InChIKey is DAKLJKGCNMLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-3-14-13(15-7-9-20-2)16-8-10-21(18,19)17-11-12-5-4-6-12/h12,17H,3-11H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine?
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine has a molecular weight of 320.46 g/mol, XLogP of -0.09, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111779063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).