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

C9H20N4O3S — CID 76947956

IUPACN'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H20N4O3S/c1-2-8(7-9(10)11-14)12-17(15,16)13-5-3-4-6-13/h8,12,14H,2-7H2,1H3,(H2,10,11)
InChIKeyOEGSXNPAVQJSCA-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.17
Rot. Bonds6

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

N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide (PubChem CID 76947956) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide
PubChem CID76947956
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H20N4O3S/c1-2-8(7-9(10)11-14)12-17(15,16)13-5-3-4-6-13/h8,12,14H,2-7H2,1H3,(H2,10,11)
InChIKeyOEGSXNPAVQJSCA-UHFFFAOYSA-N
XLogP-0.17
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.17
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)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide (CID 76947956) is N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide is CCC(CC(N)=NO)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide?
The InChIKey is OEGSXNPAVQJSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-2-8(7-9(10)11-14)12-17(15,16)13-5-3-4-6-13/h8,12,14H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide?
N'-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)pentanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.17, 6 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)pentanimidamide is sourced from PubChem (CID 76947956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).