2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine

C12H26N4O2S — CID 111111986

IUPAC2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCS(=O)(=O)NCC1CCC1)NCC
InChIInChI=1S/C12H26N4O2S/c1-3-13-12(14-4-2)15-8-9-19(17,18)16-10-11-6-5-7-11/h11,16H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeySLGMORJIMMRZJQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.28
Rot. Bonds8

About 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine

2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine (PubChem CID 111111986) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine
PubChem CID111111986
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC Name2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCS(=O)(=O)NCC1CCC1)NCC
InChIInChI=1S/C12H26N4O2S/c1-3-13-12(14-4-2)15-8-9-19(17,18)16-10-11-6-5-7-11/h11,16H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeySLGMORJIMMRZJQ-UHFFFAOYSA-N
XLogP0.28
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136923815
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111779063
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111785386
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111780274
1,3-diethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111117769
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111786485
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111786484
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111779281
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111810075
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111783809
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine;hydroiodide
CID 111783808
N'-[2-(cyclobutylmethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486973

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine?
The IUPAC name of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine (CID 111111986) is 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine is CCNC(=NCCS(=O)(=O)NCC1CCC1)NCC.
What is the InChIKey of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine?
The InChIKey is SLGMORJIMMRZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-3-13-12(14-4-2)15-8-9-19(17,18)16-10-11-6-5-7-11/h11,16H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine?
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine has a molecular weight of 290.43 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine is sourced from PubChem (CID 111111986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).