N'-hydroxy-2-(propylsulfamoylamino)propanimidamide

C6H16N4O3S — CID 104978265

IUPACN'-hydroxy-2-(propylsulfamoylamino)propanimidamide
SMILESCCCNS(=O)(=O)NC(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-3-4-8-14(12,13)10-5(2)6(7)9-11/h5,8,10-11H,3-4H2,1-2H3,(H2,7,9)
InChIKeyUTMZREDQWGIHHC-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.04
Rot. Bonds6

About N'-hydroxy-2-(propylsulfamoylamino)propanimidamide

N'-hydroxy-2-(propylsulfamoylamino)propanimidamide (PubChem CID 104978265) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-hydroxy-2-(propylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propylsulfamoylamino)propanimidamide
PubChem CID104978265
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC NameN'-hydroxy-2-(propylsulfamoylamino)propanimidamide
SMILESCCCNS(=O)(=O)NC(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-3-4-8-14(12,13)10-5(2)6(7)9-11/h5,8,10-11H,3-4H2,1-2H3,(H2,7,9)
InChIKeyUTMZREDQWGIHHC-UHFFFAOYSA-N
XLogP-1.04
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64415441
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76928171
2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76928290
2-[diethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76928366
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76929317
3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934632

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(propylsulfamoylamino)propanimidamide (CID 104978265) is N'-hydroxy-2-(propylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(propylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(propylsulfamoylamino)propanimidamide is CCCNS(=O)(=O)NC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(propylsulfamoylamino)propanimidamide?
The InChIKey is UTMZREDQWGIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-3-4-8-14(12,13)10-5(2)6(7)9-11/h5,8,10-11H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-(propylsulfamoylamino)propanimidamide?
N'-hydroxy-2-(propylsulfamoylamino)propanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(propylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).