1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

C15H26N4O3S — CID 111512013

IUPAC1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCOCCS(C)(=O)=O)NCCc1ccccn1
InChIInChI=1S/C15H26N4O3S/c1-3-16-15(18-9-7-14-6-4-5-8-17-14)19-10-11-22-12-13-23(2,20)21/h4-6,8H,3,7,9-13H2,1-2H3,(H2,16,18,19)
InChIKeyJYFAJXNDIXOQJS-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.24
Rot. Bonds10

About 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111512013) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111512013
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCOCCS(C)(=O)=O)NCCc1ccccn1
InChIInChI=1S/C15H26N4O3S/c1-3-16-15(18-9-7-14-6-4-5-8-17-14)19-10-11-22-12-13-23(2,20)21/h4-6,8H,3,7,9-13H2,1-2H3,(H2,16,18,19)
InChIKeyJYFAJXNDIXOQJS-UHFFFAOYSA-N
XLogP0.24
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)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

1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192090
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111964361
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192314
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192631
methyl 6-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]hexanoate
CID 111194562
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613015
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111782044
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-ethyl-2-[(2-ethylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111636107

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111512013) is 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCOCCS(C)(=O)=O)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is JYFAJXNDIXOQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-3-16-15(18-9-7-14-6-4-5-8-17-14)19-10-11-22-12-13-23(2,20)21/h4-6,8H,3,7,9-13H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 342.47 g/mol, XLogP of 0.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111512013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).