N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide

C7H16N4O3S — CID 104978313

IUPACN'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C7H16N4O3S/c1-9-15(13,14)11-7(6(8)10-12)4-2-3-5-7/h9,11-12H,2-5H2,1H3,(H2,8,10)
InChIKeyHDJYQBWVADEJMV-UHFFFAOYSA-N
MW236.30 g/mol
LogP-0.90
Rot. Bonds4

About N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide

N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 104978313) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID104978313
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC NameN'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C7H16N4O3S/c1-9-15(13,14)11-7(6(8)10-12)4-2-3-5-7/h9,11-12H,2-5H2,1H3,(H2,8,10)
InChIKeyHDJYQBWVADEJMV-UHFFFAOYSA-N
XLogP-0.90
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-0.90
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-1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978315
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 54947255
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978312
1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978314
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978317
N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978318
N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978320
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978322

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide (CID 104978313) is N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide is CNS(=O)(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is HDJYQBWVADEJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-9-15(13,14)11-7(6(8)10-12)4-2-3-5-7/h9,11-12H,2-5H2,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 236.30 g/mol, XLogP of -0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 104978313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).