N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide

C10H20N4O3S — CID 76978341

IUPACN'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N4O3S/c11-10(12-15)8-4-3-5-9(8)13-18(16,17)14-6-1-2-7-14/h8-9,13,15H,1-7H2,(H2,11,12)
InChIKeyWRZIFWDSAJBQHT-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.17
Rot. Bonds4

About N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide

N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 76978341) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID76978341
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N4O3S/c11-10(12-15)8-4-3-5-9(8)13-18(16,17)14-6-1-2-7-14/h8-9,13,15H,1-7H2,(H2,11,12)
InChIKeyWRZIFWDSAJBQHT-UHFFFAOYSA-N
XLogP-0.17
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
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-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide (CID 76978341) is N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is WRZIFWDSAJBQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c11-10(12-15)8-4-3-5-9(8)13-18(16,17)14-6-1-2-7-14/h8-9,13,15H,1-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 276.36 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 76978341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).