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

C12H26N4O3S — CID 104978304

IUPACN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C12H26N4O3S/c1-10(2)15-20(18,19)16-12(11(13)14-17)8-6-4-3-5-7-9-12/h10,15-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyDPDYLYMZPMNURO-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.05
Rot. Bonds5

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

N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide (PubChem CID 104978304) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
PubChem CID104978304
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C12H26N4O3S/c1-10(2)15-20(18,19)16-12(11(13)14-17)8-6-4-3-5-7-9-12/h10,15-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyDPDYLYMZPMNURO-UHFFFAOYSA-N
XLogP1.05
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.05
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

1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 64407160
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 76904457
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboximidamide
CID 76904460
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978256
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 104978257
2-cyclohexyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
CID 104978258
2-cyclohexyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978260
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978299
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300
1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978301

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide (CID 104978304) is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide is CC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCCC1.
What is the InChIKey of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide?
The InChIKey is DPDYLYMZPMNURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-10(2)15-20(18,19)16-12(11(13)14-17)8-6-4-3-5-7-9-12/h10,15-17H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide?
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide has a molecular weight of 306.43 g/mol, XLogP of 1.05, 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)cyclooctane-1-carboximidamide is sourced from PubChem (CID 104978304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).