1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine

C10H23N3O3S — CID 111234643

IUPAC1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCS(=O)(=O)CCN/C(=N/C)NC(C)COC
InChIInChI=1S/C10H23N3O3S/c1-5-17(14,15)7-6-12-10(11-3)13-9(2)8-16-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyWUODGTFPFUMGLC-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.38
Rot. Bonds7

About 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine

1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine (PubChem CID 111234643) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
PubChem CID111234643
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCS(=O)(=O)CCN/C(=N/C)NC(C)COC
InChIInChI=1S/C10H23N3O3S/c1-5-17(14,15)7-6-12-10(11-3)13-9(2)8-16-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyWUODGTFPFUMGLC-UHFFFAOYSA-N
XLogP-0.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine 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-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237010
1-(2-ethylsulfonylethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111173741
1-[2-(4-bromophenyl)sulfonylethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111763793
1-(1-methoxypropan-2-yl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111236637
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111237485
1-(2-ethylsulfonylethyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401893
1-(2-ethylsulfonylethyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111225532
1-[7-(dimethylamino)heptyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111234938
1-(3-ethoxypropyl)-3-(2-ethylsulfonylethyl)-2-methylguanidine
CID 111222081
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 111247040
1-(1-methoxypropan-2-yl)-2-methyl-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111235949
1-butan-2-yl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111492005

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine (CID 111234643) is 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine is CCS(=O)(=O)CCN/C(=N/C)NC(C)COC.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The InChIKey is WUODGTFPFUMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-5-17(14,15)7-6-12-10(11-3)13-9(2)8-16-4/h9H,5-8H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine has a molecular weight of 265.38 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 111234643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).