N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide

C11H24N4O3S — CID 104978325

IUPACN'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCCCNS(=O)(=O)NC1(C(N)=NO)CCC(C)CC1
InChIInChI=1S/C11H24N4O3S/c1-3-8-13-19(17,18)15-11(10(12)14-16)6-4-9(2)5-7-11/h9,13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyVWMVUJRXLZBWEO-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.52
Rot. Bonds6

About N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide

N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104978325) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104978325
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCCCNS(=O)(=O)NC1(C(N)=NO)CCC(C)CC1
InChIInChI=1S/C11H24N4O3S/c1-3-8-13-19(17,18)15-11(10(12)14-16)6-4-9(2)5-7-11/h9,13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyVWMVUJRXLZBWEO-UHFFFAOYSA-N
XLogP0.52
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.52
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
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813324
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
1-(Dimethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 64405495
4-Methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64406124
1-(Diethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 64408005
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
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978256
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 104978257

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide (CID 104978325) is N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide is CCCNS(=O)(=O)NC1(C(N)=NO)CCC(C)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is VWMVUJRXLZBWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-3-8-13-19(17,18)15-11(10(12)14-16)6-4-9(2)5-7-11/h9,13,15-16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 292.41 g/mol, XLogP of 0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104978325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).