1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide

C11H25IN4O3S — CID 119147595

IUPAC1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
SMILESCN(C)/C(N)=N/CCS(=O)(=O)NCC1CCCCO1.I
InChIInChI=1S/C11H24N4O3S.HI/c1-15(2)11(12)13-6-8-19(16,17)14-9-10-5-3-4-7-18-10;/h10,14H,3-9H2,1-2H3,(H2,12,13);1H
InChIKeyMPCGJHYCEABHEI-UHFFFAOYSA-N
MW420.32 g/mol
LogP-0.03
Rot. Bonds6

About 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide

1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide (PubChem CID 119147595) has the molecular formula C11H25IN4O3S and a molecular weight of 420.32 g/mol. Its IUPAC name is 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
PubChem CID119147595
Molecular FormulaC11H25IN4O3S
Molecular Weight420.32 g/mol
Exact Mass420.07
IUPAC Name1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
SMILESCN(C)/C(N)=N/CCS(=O)(=O)NCC1CCCCO1.I
InChIInChI=1S/C11H24N4O3S.HI/c1-15(2)11(12)13-6-8-19(16,17)14-9-10-5-3-4-7-18-10;/h10,14H,3-9H2,1-2H3,(H2,12,13);1H
InChIKeyMPCGJHYCEABHEI-UHFFFAOYSA-N
XLogP-0.03
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 5-0.03
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]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

1,3-diethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111117769
2-butyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111811193
N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide
CID 111826122
2-(2-methylprop-2-enyl)-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111811166
4-(4-fluorophenyl)-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111811167
4-(4-fluorophenyl)-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperazine-1-carboximidamide
CID 111811168
1-ethyl-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111827652
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 109424718
1-ethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111830987
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111810075
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111831077
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111831653

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide (CID 119147595) is 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide is CN(C)/C(N)=N/CCS(=O)(=O)NCC1CCCCO1.I.
What is the InChIKey of 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide?
The InChIKey is MPCGJHYCEABHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S.HI/c1-15(2)11(12)13-6-8-19(16,17)14-9-10-5-3-4-7-18-10;/h10,14H,3-9H2,1-2H3,(H2,12,13);1H.
What are the key properties of 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide?
1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide has a molecular weight of 420.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119147595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).