N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide

C8H18N4O3S — CID 76934832

IUPACN'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N4O3S/c1-7(6-8(9)10-13)11-16(14,15)12-4-2-3-5-12/h7,11,13H,2-6H2,1H3,(H2,9,10)
InChIKeyUCKUPIXAMDASRJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.56
Rot. Bonds5

About N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide

N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide (PubChem CID 76934832) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide
PubChem CID76934832
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N4O3S/c1-7(6-8(9)10-13)11-16(14,15)12-4-2-3-5-12/h7,11,13H,2-6H2,1H3,(H2,9,10)
InChIKeyUCKUPIXAMDASRJ-UHFFFAOYSA-N
XLogP-0.56
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide (CID 76934832) is N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide is CC(CC(N)=NO)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
The InChIKey is UCKUPIXAMDASRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-7(6-8(9)10-13)11-16(14,15)12-4-2-3-5-12/h7,11,13H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide?
N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)butanimidamide is sourced from PubChem (CID 76934832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).