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

C9H20N4O3S — CID 104978317

IUPACN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C9H20N4O3S/c1-7(2)12-17(15,16)13-9(8(10)11-14)5-3-4-6-9/h7,12-14H,3-6H2,1-2H3,(H2,10,11)
InChIKeyCJEJUXJUPNFACP-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.12
Rot. Bonds5

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

N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 104978317) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID104978317
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C9H20N4O3S/c1-7(2)12-17(15,16)13-9(8(10)11-14)5-3-4-6-9/h7,12-14H,3-6H2,1-2H3,(H2,10,11)
InChIKeyCJEJUXJUPNFACP-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
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
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64408750
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 76978333
2-(dimethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978347
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 104978257
2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide
CID 104978277
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
N'-hydroxy-1-(propylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978302
1-(ethylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978303

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide (CID 104978317) is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide is CC(C)NS(=O)(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is CJEJUXJUPNFACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-7(2)12-17(15,16)13-9(8(10)11-14)5-3-4-6-9/h7,12-14H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 264.35 g/mol, XLogP of -0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 104978317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).