2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide

C12H27IN4O2S — CID 111804893

IUPAC2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C12H26N4O2S.HI/c1-3-16(4-2)19(17,18)9-8-14-12(13)15-10-11-6-5-7-11;/h11H,3-10H2,1-2H3,(H3,13,14,15);1H
InChIKeyHUQQRIPHDFIQLE-UHFFFAOYSA-N
MW418.35 g/mol
LogP0.98
Rot. Bonds8

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

2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide (PubChem CID 111804893) has the molecular formula C12H27IN4O2S and a molecular weight of 418.35 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
PubChem CID111804893
Molecular FormulaC12H27IN4O2S
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC Name2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C12H26N4O2S.HI/c1-3-16(4-2)19(17,18)9-8-14-12(13)15-10-11-6-5-7-11;/h11H,3-10H2,1-2H3,(H3,13,14,15);1H
InChIKeyHUQQRIPHDFIQLE-UHFFFAOYSA-N
XLogP0.98
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 50.98
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-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111804851
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111107658
1-[2-(benzenesulfonyl)ethyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111065129
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
CID 111030376
2-(cyclopropylmethyl)-1-heptylguanidine;methanesulfonic acid
CID 24879509
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide (CID 111804893) is 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide is CCN(CC)S(=O)(=O)CCN/C(N)=N/CC1CCC1.I.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide?
The InChIKey is HUQQRIPHDFIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S.HI/c1-3-16(4-2)19(17,18)9-8-14-12(13)15-10-11-6-5-7-11;/h11H,3-10H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide has a molecular weight of 418.35 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111804893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).