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

C9H19N3O4S — CID 55014542

IUPACN'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCC1
InChIInChI=1S/C9H19N3O4S/c1-16-6-7-17(14,15)12-9(8(10)11-13)4-2-3-5-9/h12-13H,2-7H2,1H3,(H2,10,11)
InChIKeyDBXRPFQDAZSXTJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.39
Rot. Bonds6

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

N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 55014542) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID55014542
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCC1
InChIInChI=1S/C9H19N3O4S/c1-16-6-7-17(14,15)12-9(8(10)11-13)4-2-3-5-9/h12-13H,2-7H2,1H3,(H2,10,11)
InChIKeyDBXRPFQDAZSXTJ-UHFFFAOYSA-N
XLogP-0.39
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide (CID 55014542) is N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide is COCCS(=O)(=O)NC1(/C(N)=N/O)CCCC1.
What is the InChIKey of N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is DBXRPFQDAZSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-16-6-7-17(14,15)12-9(8(10)11-13)4-2-3-5-9/h12-13H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 265.33 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 55014542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).