N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide

C9H20N4O3S — CID 104978446

IUPACN'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C9H20N4O3S/c1-6(2)12-17(15,16)13-8-5-3-4-7(8)9(10)11-14/h6-8,12-14H,3-5H2,1-2H3,(H2,10,11)
InChIKeyOHOYWZMCGHBJSM-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.27
Rot. Bonds5

About N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide

N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 104978446) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID104978446
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C9H20N4O3S/c1-6(2)12-17(15,16)13-8-5-3-4-7(8)9(10)11-14/h6-8,12-14H,3-5H2,1-2H3,(H2,10,11)
InChIKeyOHOYWZMCGHBJSM-UHFFFAOYSA-N
XLogP-0.27
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
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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Related Compounds

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978444
2-(butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 55151969
2-(Diethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64405825
2-(Dimethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64406873
2-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64407919
2-(butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76210104
N'-hydroxy-2-(propan-2-ylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978330
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 76978333
N'-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978341
2-(azepan-1-ylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978344
N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 76978345
N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 76978346

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide (CID 104978446) is N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide is CC(C)NS(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is OHOYWZMCGHBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-6(2)12-17(15,16)13-8-5-3-4-7(8)9(10)11-14/h6-8,12-14H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 264.35 g/mol, XLogP of -0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 104978446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).