2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C12H27IN4O2S — CID 111810075

IUPAC2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCS(=O)(=O)NCC1CCC1)N(C)C.I
InChIInChI=1S/C12H26N4O2S.HI/c1-15(2)12(16(3)4)13-8-9-19(17,18)14-10-11-6-5-7-11;/h11,14H,5-10H2,1-4H3;1H
InChIKeyIPHLDMHAFKGVHE-UHFFFAOYSA-N
MW418.35 g/mol
LogP0.80
Rot. Bonds6

About 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111810075) has the molecular formula C12H27IN4O2S and a molecular weight of 418.35 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111810075
Molecular FormulaC12H27IN4O2S
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC Name2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCS(=O)(=O)NCC1CCC1)N(C)C.I
InChIInChI=1S/C12H26N4O2S.HI/c1-15(2)12(16(3)4)13-8-9-19(17,18)14-10-11-6-5-7-11;/h11,14H,5-10H2,1-4H3;1H
InChIKeyIPHLDMHAFKGVHE-UHFFFAOYSA-N
XLogP0.80
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
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

2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine
CID 111111986
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136923815
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111780274
3-(cyclobutylmethylsulfamoyl)propanoic acid
CID 43298604
1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119147595
N'-[2-(cyclobutylmethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486973
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111785386
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111779063
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111810051
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 111810063
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111786484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111810075) is 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCCS(=O)(=O)NCC1CCC1)N(C)C.I.
What is the InChIKey of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is IPHLDMHAFKGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S.HI/c1-15(2)12(16(3)4)13-8-9-19(17,18)14-10-11-6-5-7-11;/h11,14H,5-10H2,1-4H3;1H.
What are the key properties of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 418.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111810075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).