N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide

C11H20F3N3O3S — CID 83047154

IUPACN'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3N3O3S/c12-11(13,14)7-4-8-21(19,20)17-10(9(15)16-18)5-2-1-3-6-10/h17-18H,1-8H2,(H2,15,16)
InChIKeyXIPBSTLDKJJCTP-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.70
Rot. Bonds6

About N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide

N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide (PubChem CID 83047154) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
PubChem CID83047154
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC NameN'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3N3O3S/c12-11(13,14)7-4-8-21(19,20)17-10(9(15)16-18)5-2-1-3-6-10/h17-18H,1-8H2,(H2,15,16)
InChIKeyXIPBSTLDKJJCTP-UHFFFAOYSA-N
XLogP1.70
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
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

1-(Difluoromethylsulfonylamino)cyclohexane-1-carboximidamide
CID 64413118
4-Methyl-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83048046
2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83057939
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83058245
1-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83059128
1-(4,4,4-Trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83059743
1-(difluoromethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 112495636
1-(difluoromethylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 112495776
1-(difluoromethylsulfonylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide
CID 112495807
1-(difluoromethylsulfonylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
CID 112495825
1-(difluoromethylsulfonylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 112495838
2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 54947108

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide (CID 83047154) is N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide is NC(=NO)C1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1.
What is the InChIKey of N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
The InChIKey is XIPBSTLDKJJCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c12-11(13,14)7-4-8-21(19,20)17-10(9(15)16-18)5-2-1-3-6-10/h17-18H,1-8H2,(H2,15,16).
What are the key properties of N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide has a molecular weight of 331.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 83047154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).