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

C9H18N4O3S — CID 104978312

IUPAC1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)NC2CC2)CCCC1
InChIInChI=1S/C9H18N4O3S/c10-8(11-14)9(5-1-2-6-9)13-17(15,16)12-7-3-4-7/h7,12-14H,1-6H2,(H2,10,11)
InChIKeyUIJMOIPBOAWCMU-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.37
Rot. Bonds5

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

1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 104978312) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID104978312
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)NC2CC2)CCCC1
InChIInChI=1S/C9H18N4O3S/c10-8(11-14)9(5-1-2-6-9)13-17(15,16)12-7-3-4-7/h7,12-14H,1-6H2,(H2,10,11)
InChIKeyUIJMOIPBOAWCMU-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
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
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978299
N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978313
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-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978322
1-(cyclopropylsulfamoylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 104978335
2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978441
2-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978443
N'-hydroxy-1-(2-methylpropylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978767

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 104978312) is 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is NC(=NO)C1(NS(=O)(=O)NC2CC2)CCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is UIJMOIPBOAWCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c10-8(11-14)9(5-1-2-6-9)13-17(15,16)12-7-3-4-7/h7,12-14H,1-6H2,(H2,10,11).
What are the key properties of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 262.33 g/mol, XLogP of -0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 104978312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).