1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide

C11H22N4O3S — CID 104978323

IUPAC1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide
SMILESCC1CCC(NS(=O)(=O)NC2CC2)(C(N)=NO)CC1
InChIInChI=1S/C11H22N4O3S/c1-8-4-6-11(7-5-8,10(12)13-16)15-19(17,18)14-9-2-3-9/h8-9,14-16H,2-7H2,1H3,(H2,12,13)
InChIKeyAYOJGVVYVCENDT-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.27
Rot. Bonds5

About 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide

1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide (PubChem CID 104978323) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide
PubChem CID104978323
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide
SMILESCC1CCC(NS(=O)(=O)NC2CC2)(C(N)=NO)CC1
InChIInChI=1S/C11H22N4O3S/c1-8-4-6-11(7-5-8,10(12)13-16)15-19(17,18)14-9-2-3-9/h8-9,14-16H,2-7H2,1H3,(H2,12,13)
InChIKeyAYOJGVVYVCENDT-UHFFFAOYSA-N
XLogP0.27
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
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-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
4-Methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64406124
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
2-cyclohexyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978260
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide (CID 104978323) is 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide is CC1CCC(NS(=O)(=O)NC2CC2)(C(N)=NO)CC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide?
The InChIKey is AYOJGVVYVCENDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-8-4-6-11(7-5-8,10(12)13-16)15-19(17,18)14-9-2-3-9/h8-9,14-16H,2-7H2,1H3,(H2,12,13).
What are the key properties of 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide?
1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide has a molecular weight of 290.39 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 1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide is sourced from PubChem (CID 104978323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).