N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide

C13H28N4O3S — CID 76904457

IUPACN'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C13H28N4O3S/c1-11(2)17(3)21(19,20)16-13(12(14)15-18)9-7-5-4-6-8-10-13/h11,16,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyVWUYMZMJVMYVDX-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.39
Rot. Bonds5

About N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide

N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide (PubChem CID 76904457) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
PubChem CID76904457
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC NameN'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C13H28N4O3S/c1-11(2)17(3)21(19,20)16-13(12(14)15-18)9-7-5-4-6-8-10-13/h11,16,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyVWUYMZMJVMYVDX-UHFFFAOYSA-N
XLogP1.39
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.39
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide (CID 76904457) is N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide is CC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCCCCCC1.
What is the InChIKey of N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide?
The InChIKey is VWUYMZMJVMYVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-11(2)17(3)21(19,20)16-13(12(14)15-18)9-7-5-4-6-8-10-13/h11,16,18H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide?
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide has a molecular weight of 320.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide is sourced from PubChem (CID 76904457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).