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

C13H28N4O3S — CID 76904459

IUPAC4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)N(C)C(C)C)(C(N)=NO)CC1
InChIInChI=1S/C13H28N4O3S/c1-5-11-6-8-13(9-7-11,12(14)15-18)16-21(19,20)17(4)10(2)3/h10-11,16,18H,5-9H2,1-4H3,(H2,14,15)
InChIKeyZTGFSQLFXZXOQI-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.25
Rot. Bonds6

About 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide

4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide (PubChem CID 76904459) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
PubChem CID76904459
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC Name4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)N(C)C(C)C)(C(N)=NO)CC1
InChIInChI=1S/C13H28N4O3S/c1-5-11-6-8-13(9-7-11,12(14)15-18)16-21(19,20)17(4)10(2)3/h10-11,16,18H,5-9H2,1-4H3,(H2,14,15)
InChIKeyZTGFSQLFXZXOQI-UHFFFAOYSA-N
XLogP1.25
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.25
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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Related Compounds

N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
1-(Dimethylsulfamoylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64405487
1-(Dimethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 64405495
4-Ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64405905
4-Methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64406124
1-(Diethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 64408005
1-(Diethylsulfamoylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64408202
2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76904454
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 76904457
N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904458
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboximidamide
CID 76904460
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978256

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The IUPAC name of 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide (CID 76904459) is 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The canonical SMILES for 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide is CCC1CCC(NS(=O)(=O)N(C)C(C)C)(C(N)=NO)CC1.
What is the InChIKey of 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The InChIKey is ZTGFSQLFXZXOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-5-11-6-8-13(9-7-11,12(14)15-18)16-21(19,20)17(4)10(2)3/h10-11,16,18H,5-9H2,1-4H3,(H2,14,15).
What are the key properties of 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide has a molecular weight of 320.46 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide is sourced from PubChem (CID 76904459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).