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

C11H24N4O3S — CID 61453719

IUPACN'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C11H24N4O3S/c1-9(2)15(3)19(17,18)14-11(10(12)13-16)7-5-4-6-8-11/h9,14,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyIHIMVMUWMCATQW-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.61
Rot. Bonds5

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

N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide (PubChem CID 61453719) has the molecular formula C11H24N4O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
PubChem CID61453719
Molecular FormulaC11H24N4O3S
Molecular Weight292.40 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C11H24N4O3S/c1-9(2)15(3)19(17,18)14-11(10(12)13-16)7-5-4-6-8-11/h9,14,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyIHIMVMUWMCATQW-UHFFFAOYSA-N
XLogP0.61
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.61
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]cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide (CID 61453719) is N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide is CC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCCCC1.
What is the InChIKey of N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The InChIKey is IHIMVMUWMCATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-9(2)15(3)19(17,18)14-11(10(12)13-16)7-5-4-6-8-11/h9,14,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide has a molecular weight of 292.40 g/mol, XLogP of 0.61, 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]cyclohexane-1-carboximidamide is sourced from PubChem (CID 61453719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).