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

C10H22N4O3S — CID 104978320

IUPACN'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCCCNS(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C10H22N4O3S/c1-2-8-12-18(16,17)14-10(9(11)13-15)6-4-3-5-7-10/h12,14-15H,2-8H2,1H3,(H2,11,13)
InChIKeyMJXKOWPRULZLAR-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.27
Rot. Bonds6

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

N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104978320) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104978320
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCCCNS(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C10H22N4O3S/c1-2-8-12-18(16,17)14-10(9(11)13-15)6-4-3-5-7-10/h12,14-15H,2-8H2,1H3,(H2,11,13)
InChIKeyMJXKOWPRULZLAR-UHFFFAOYSA-N
XLogP0.27
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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]cyclohexane-1-carboximidamide
CID 61453719
1-(Diethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 64413326
1-(Dimethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 64414374
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
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-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide (CID 104978320) is N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide is CCCNS(=O)(=O)NC1(C(N)=NO)CCCCC1.
What is the InChIKey of N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is MJXKOWPRULZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-2-8-12-18(16,17)14-10(9(11)13-15)6-4-3-5-7-10/h12,14-15H,2-8H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 278.38 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104978320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).