N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide

C10H22N4O3S — CID 104978322

IUPACN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)13-18(16,17)14-10(9(11)12-15)6-4-3-5-7-10/h8,13-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyCMUIUVIBXBPLCX-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.27
Rot. Bonds5

About N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide

N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104978322) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104978322
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)13-18(16,17)14-10(9(11)12-15)6-4-3-5-7-10/h8,13-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyCMUIUVIBXBPLCX-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
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
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 54947255
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64415461
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-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978255
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide (CID 104978322) is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide is CC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCC1.
What is the InChIKey of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is CMUIUVIBXBPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(2)13-18(16,17)14-10(9(11)12-15)6-4-3-5-7-10/h8,13-15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 278.38 g/mol, XLogP of 0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104978322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).