N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide

C8H20N4O3S — CID 104978518

IUPACN'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide
SMILESCCCNS(=O)(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C8H20N4O3S/c1-4-5-10-16(14,15)12-7(6(2)3)8(9)11-13/h6-7,10,12-13H,4-5H2,1-3H3,(H2,9,11)
InChIKeyWDLCYXJQCKWBHR-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.41
Rot. Bonds7

About N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide

N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide (PubChem CID 104978518) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide
PubChem CID104978518
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide
SMILESCCCNS(=O)(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C8H20N4O3S/c1-4-5-10-16(14,15)12-7(6(2)3)8(9)11-13/h6-7,10,12-13H,4-5H2,1-3H3,(H2,9,11)
InChIKeyWDLCYXJQCKWBHR-UHFFFAOYSA-N
XLogP-0.41
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.41
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide (CID 104978518) is N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide is CCCNS(=O)(=O)NC(C(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide?
The InChIKey is WDLCYXJQCKWBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-4-5-10-16(14,15)12-7(6(2)3)8(9)11-13/h6-7,10,12-13H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide?
N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).