1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide

C8H16N4O4S — CID 80596985

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCS(N)(=O)=O)CCC1
InChIInChI=1S/C8H16N4O4S/c9-6(12-14)8(2-1-3-8)7(13)11-4-5-17(10,15)16/h14H,1-5H2,(H2,9,12)(H,11,13)(H2,10,15,16)
InChIKeyNJFXQDFTIAOGMI-UHFFFAOYSA-N
MW264.31 g/mol
LogP-1.69
Rot. Bonds5

About 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide (PubChem CID 80596985) has the molecular formula C8H16N4O4S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide
PubChem CID80596985
Molecular FormulaC8H16N4O4S
Molecular Weight264.31 g/mol
Exact Mass264.09
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCS(N)(=O)=O)CCC1
InChIInChI=1S/C8H16N4O4S/c9-6(12-14)8(2-1-3-8)7(13)11-4-5-17(10,15)16/h14H,1-5H2,(H2,9,12)(H,11,13)(H2,10,15,16)
InChIKeyNJFXQDFTIAOGMI-UHFFFAOYSA-N
XLogP-1.69
TPSA147.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide
CID 80597060
N-[3-(ethylamino)-3-oxopropyl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 113410980
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920298
N-(3-amino-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920303
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920211
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106041260
N-[2-(dimethylcarbamoylamino)ethyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 83112793
N-[2-(ethylsulfamoyl)ethyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 106341731
N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80593987
N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 104864523
1-(N'-hydroxycarbamimidoyl)-N-[3-(methylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 76927089

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide (CID 80596985) is 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide is NC(=NO)C1(C(=O)NCCS(N)(=O)=O)CCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide?
The InChIKey is NJFXQDFTIAOGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4S/c9-6(12-14)8(2-1-3-8)7(13)11-4-5-17(10,15)16/h14H,1-5H2,(H2,9,12)(H,11,13)(H2,10,15,16).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide has a molecular weight of 264.31 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(2-sulfamoylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80596985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).