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

C6H14N4O3S — CID 104985778

IUPACN'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(N)(=O)=O
InChIInChI=1S/C6H14N4O3S/c7-6(9-11)4-2-1-3-5(4)10-14(8,12)13/h4-5,10-11H,1-3H2,(H2,7,9)(H2,8,12,13)
InChIKeyIDKDAKMCXLZXMV-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.31
Rot. Bonds3

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

N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 104985778) has the molecular formula C6H14N4O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID104985778
Molecular FormulaC6H14N4O3S
Molecular Weight222.27 g/mol
Exact Mass222.08
IUPAC NameN'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(N)(=O)=O
InChIInChI=1S/C6H14N4O3S/c7-6(9-11)4-2-1-3-5(4)10-14(8,12)13/h4-5,10-11H,1-3H2,(H2,7,9)(H2,8,12,13)
InChIKeyIDKDAKMCXLZXMV-UHFFFAOYSA-N
XLogP-1.31
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.31
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-amino-N-hydroxycyclopentane-1-carboximidamide
CID 64980951
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 76978333
2-(dimethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978347
N'-hydroxy-2-(methanesulfonamido)cyclopentane-1-carboximidamide
CID 76978986
2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76979003
CID 77052234
CID 77052234
2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978441
N'-hydroxy-2-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978442
2-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978443
2-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978445
N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978446

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide (CID 104985778) is N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(N)(=O)=O.
What is the InChIKey of N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is IDKDAKMCXLZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O3S/c7-6(9-11)4-2-1-3-5(4)10-14(8,12)13/h4-5,10-11H,1-3H2,(H2,7,9)(H2,8,12,13).
What are the key properties of N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 222.27 g/mol, XLogP of -1.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 104985778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).