1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

C12H29IN4O3S — CID 111783031

IUPAC1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)NS(C)(=O)=O)NC(C)COC.I
InChIInChI=1S/C12H28N4O3S.HI/c1-7-13-11(15-10(2)8-19-5)14-9-12(3,4)16-20(6,17)18;/h10,16H,7-9H2,1-6H3,(H2,13,14,15);1H
InChIKeyXGEKEZCLWUDDHJ-UHFFFAOYSA-N
MW436.36 g/mol
LogP0.52
Rot. Bonds8

About 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111783031) has the molecular formula C12H29IN4O3S and a molecular weight of 436.36 g/mol. Its IUPAC name is 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111783031
Molecular FormulaC12H29IN4O3S
Molecular Weight436.36 g/mol
Exact Mass436.10
IUPAC Name1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)NS(C)(=O)=O)NC(C)COC.I
InChIInChI=1S/C12H28N4O3S.HI/c1-7-13-11(15-10(2)8-19-5)14-9-12(3,4)16-20(6,17)18;/h10,16H,7-9H2,1-6H3,(H2,13,14,15);1H
InChIKeyXGEKEZCLWUDDHJ-UHFFFAOYSA-N
XLogP0.52
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)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

1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111783032
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111789877
1-ethyl-2-(2-methyl-2-methylsulfonylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111966846
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234892
1-ethyl-3-(1-methoxypropan-2-yl)-2-pentylguanidine;hydroiodide
CID 111235092
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111237098
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111234893
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(methanesulfonamido)-2-methylpropyl]guanidine;hydroiodide
CID 111978899
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111794399
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111235595
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-phenylsulfanylethyl)guanidine
CID 111786275
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111236219

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111783031) is 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)NS(C)(=O)=O)NC(C)COC.I.
What is the InChIKey of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is XGEKEZCLWUDDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O3S.HI/c1-7-13-11(15-10(2)8-19-5)14-9-12(3,4)16-20(6,17)18;/h10,16H,7-9H2,1-6H3,(H2,13,14,15);1H.
What are the key properties of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 436.36 g/mol, XLogP of 0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111783031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).