2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

C9H18N4O3S — CID 104978441

IUPAC2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N4O3S/c10-9(11-14)7-2-1-3-8(7)13-17(15,16)12-6-4-5-6/h6-8,12-14H,1-5H2,(H2,10,11)
InChIKeyARFFIVKWXLIRDS-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.51
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 104978441) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID104978441
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N4O3S/c10-9(11-14)7-2-1-3-8(7)13-17(15,16)12-6-4-5-6/h6-8,12-14H,1-5H2,(H2,10,11)
InChIKeyARFFIVKWXLIRDS-UHFFFAOYSA-N
XLogP-0.51
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.51
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
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
2-(dimethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978347
2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76979003
N'-hydroxy-2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carboximidamide
CID 76979004
2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 77017170
2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 77046595
2-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 77052476
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978312
N'-hydroxy-2-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978442

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 104978441) is 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is ARFFIVKWXLIRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c10-9(11-14)7-2-1-3-8(7)13-17(15,16)12-6-4-5-6/h6-8,12-14H,1-5H2,(H2,10,11).
What are the key properties of 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 262.33 g/mol, XLogP of -0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 104978441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).