1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide

C8H21IN4O2S — CID 111107658

IUPAC1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(N)=N/C.I
InChIInChI=1S/C8H20N4O2S.HI/c1-4-12(5-2)15(13,14)7-6-11-8(9)10-3;/h4-7H2,1-3H3,(H3,9,10,11);1H
InChIKeyNKJQVECLTURBIB-UHFFFAOYSA-N
MW364.25 g/mol
LogP-0.19
Rot. Bonds6

About 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide

1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111107658) has the molecular formula C8H21IN4O2S and a molecular weight of 364.25 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111107658
Molecular FormulaC8H21IN4O2S
Molecular Weight364.25 g/mol
Exact Mass364.04
IUPAC Name1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(N)=N/C.I
InChIInChI=1S/C8H20N4O2S.HI/c1-4-12(5-2)15(13,14)7-6-11-8(9)10-3;/h4-7H2,1-3H3,(H3,9,10,11);1H
InChIKeyNKJQVECLTURBIB-UHFFFAOYSA-N
XLogP-0.19
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763366
2-methyl-1-(2-sulfamoylethyl)guanidine
CID 62358628
2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111804893
1-[2-(diethylsulfamoyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111804851
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111979734
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111767296
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine
CID 111763409
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111989884
N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488104
3-(diethylaminomethyl)-N-[2-(diethylsulfamoyl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111996352
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111768061
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111999435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide (CID 111107658) is 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide is CCN(CC)S(=O)(=O)CCN/C(N)=N/C.I.
What is the InChIKey of 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is NKJQVECLTURBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S.HI/c1-4-12(5-2)15(13,14)7-6-11-8(9)10-3;/h4-7H2,1-3H3,(H3,9,10,11);1H.
What are the key properties of 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 364.25 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111107658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).