1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine

C17H35N5O3S — CID 111779281

IUPAC1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C17H35N5O3S/c1-2-18-17(19-7-4-9-22-10-12-25-13-11-22)20-8-14-26(23,24)21-15-16-5-3-6-16/h16,21H,2-15H2,1H3,(H2,18,19,20)
InChIKeyYJFIUULHVSWGFN-UHFFFAOYSA-N
MW389.57 g/mol
LogP-0.02
Rot. Bonds11

About 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111779281) has the molecular formula C17H35N5O3S and a molecular weight of 389.57 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111779281
Molecular FormulaC17H35N5O3S
Molecular Weight389.57 g/mol
Exact Mass389.25
IUPAC Name1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C17H35N5O3S/c1-2-18-17(19-7-4-9-22-10-12-25-13-11-22)20-8-14-26(23,24)21-15-16-5-3-6-16/h16,21H,2-15H2,1H3,(H2,18,19,20)
InChIKeyYJFIUULHVSWGFN-UHFFFAOYSA-N
XLogP-0.02
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111779063
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111783809
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine
CID 111111986
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine;hydroiodide
CID 111783808
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111785386
1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-morpholin-4-ylethyl)guanidine
CID 111188233
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188192
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111780274
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111494360
1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110990839
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-ethylsulfonylethyl)guanidine;hydroiodide
CID 111325143
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972815

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (CID 111779281) is 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CCCN1CCOCC1)NCCS(=O)(=O)NCC1CCC1.
What is the InChIKey of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is YJFIUULHVSWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O3S/c1-2-18-17(19-7-4-9-22-10-12-25-13-11-22)20-8-14-26(23,24)21-15-16-5-3-6-16/h16,21H,2-15H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 389.57 g/mol, XLogP of -0.02, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111779281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).