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

C12H24N4O3S — CID 104978299

IUPAC1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H24N4O3S/c13-11(14-17)12(8-4-2-1-3-5-9-12)16-20(18,19)15-10-6-7-10/h10,15-17H,1-9H2,(H2,13,14)
InChIKeyJPEICCZDIOCTAB-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.80
Rot. Bonds5

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

1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide (PubChem CID 104978299) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
PubChem CID104978299
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H24N4O3S/c13-11(14-17)12(8-4-2-1-3-5-9-12)16-20(18,19)15-10-6-7-10/h10,15-17H,1-9H2,(H2,13,14)
InChIKeyJPEICCZDIOCTAB-UHFFFAOYSA-N
XLogP0.80
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.80
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-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 76904457
2-cyclohexyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978255
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300
1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978301
N'-hydroxy-1-(propylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978302
1-(ethylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978303
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978304
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978312
1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
CID 104978329
1-(cyclopropylsulfamoylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 104978335
N'-hydroxy-1-(propylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978338
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978340

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide (CID 104978299) is 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide is NC(=NO)C1(NS(=O)(=O)NC2CC2)CCCCCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The InChIKey is JPEICCZDIOCTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c13-11(14-17)12(8-4-2-1-3-5-9-12)16-20(18,19)15-10-6-7-10/h10,15-17H,1-9H2,(H2,13,14).
What are the key properties of 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide has a molecular weight of 304.42 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide is sourced from PubChem (CID 104978299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).