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

C8H18N4O3S — CID 104978318

IUPACN'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C8H18N4O3S/c1-10-16(14,15)12-8(7(9)11-13)5-3-2-4-6-8/h10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyNEQBPTCNMDYGQK-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.51
Rot. Bonds4

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

N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104978318) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104978318
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C8H18N4O3S/c1-10-16(14,15)12-8(7(9)11-13)5-3-2-4-6-8/h10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyNEQBPTCNMDYGQK-UHFFFAOYSA-N
XLogP-0.51
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.51
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-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978321
N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 55233416
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
1-(Dimethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 64414374
1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 76217809
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
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide (CID 104978318) is N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide is CNS(=O)(=O)NC1(C(N)=NO)CCCCC1.
What is the InChIKey of N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is NEQBPTCNMDYGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-10-16(14,15)12-8(7(9)11-13)5-3-2-4-6-8/h10,12-13H,2-6H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 250.32 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104978318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).