N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide

C9H19N3O3S — CID 76978990

IUPACN'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCCCS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C9H19N3O3S/c1-2-6-16(14,15)12-8-5-3-4-7(8)9(10)11-13/h7-8,12-13H,2-6H2,1H3,(H2,10,11)
InChIKeyWPMLYXVONJHGRH-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.23
Rot. Bonds5

About N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide

N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 76978990) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID76978990
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCCCS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C9H19N3O3S/c1-2-6-16(14,15)12-8-5-3-4-7(8)9(10)11-13/h7-8,12-13H,2-6H2,1H3,(H2,10,11)
InChIKeyWPMLYXVONJHGRH-UHFFFAOYSA-N
XLogP0.23
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.23
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'}

Analyze N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide (CID 76978990) is N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide is CCCS(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is WPMLYXVONJHGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-2-6-16(14,15)12-8-5-3-4-7(8)9(10)11-13/h7-8,12-13H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 249.34 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 76978990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).