2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C14H26IN5O2S — CID 111066396

IUPAC2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCS(=O)(=O)N(C)CCC/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C14H25N5O2S.HI/c1-3-22(20,21)19(2)12-6-10-17-14(15)18-11-8-13-7-4-5-9-16-13;/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H3,15,17,18);1H
InChIKeyAOOASNCQJIWAJO-UHFFFAOYSA-N
MW455.37 g/mol
LogP0.82
Rot. Bonds9

About 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111066396) has the molecular formula C14H26IN5O2S and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111066396
Molecular FormulaC14H26IN5O2S
Molecular Weight455.37 g/mol
Exact Mass455.09
IUPAC Name2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCS(=O)(=O)N(C)CCC/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C14H25N5O2S.HI/c1-3-22(20,21)19(2)12-6-10-17-14(15)18-11-8-13-7-4-5-9-16-13;/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H3,15,17,18);1H
InChIKeyAOOASNCQJIWAJO-UHFFFAOYSA-N
XLogP0.82
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
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 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;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

2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111066358
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111057297
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111066396) is 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCS(=O)(=O)N(C)CCC/N=C(\N)NCCc1ccccn1.I.
What is the InChIKey of 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is AOOASNCQJIWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S.HI/c1-3-22(20,21)19(2)12-6-10-17-14(15)18-11-8-13-7-4-5-9-16-13;/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H3,15,17,18);1H.
What are the key properties of 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 455.37 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111066396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).