4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide

C10H22N4O3S — CID 104978330

IUPAC4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)NC)(C(N)=NO)CC1
InChIInChI=1S/C10H22N4O3S/c1-3-8-4-6-10(7-5-8,9(11)13-15)14-18(16,17)12-2/h8,12,14-15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyQAUOZHKUKQJKMU-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.13
Rot. Bonds5

About 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide

4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104978330) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104978330
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)NC)(C(N)=NO)CC1
InChIInChI=1S/C10H22N4O3S/c1-3-8-4-6-10(7-5-8,9(11)13-15)14-18(16,17)12-2/h8,12,14-15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyQAUOZHKUKQJKMU-UHFFFAOYSA-N
XLogP0.13
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.13
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-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813306
1-(Dimethylsulfamoylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64405487
4-Ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64405905
1-(Diethylsulfamoylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64408202
1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
CID 64980904
2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76904454
N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904458
4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904459
1-(tert-butylsulfonylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
CID 77017136
CID 77052229
CID 77052229
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978256

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide (CID 104978330) is 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide is CCC1CCC(NS(=O)(=O)NC)(C(N)=NO)CC1.
What is the InChIKey of 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is QAUOZHKUKQJKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-3-8-4-6-10(7-5-8,9(11)13-15)14-18(16,17)12-2/h8,12,14-15H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 278.38 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104978330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).