1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide

C11H20F3N3O2S — CID 83059743

IUPAC1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)7-4-8-20(18,19)17-10(9(15)16)5-2-1-3-6-10/h17H,1-8H2,(H3,15,16)
InChIKeyJWQHAMAVHPIPRR-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.89
Rot. Bonds6

About 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide

1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide (PubChem CID 83059743) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
PubChem CID83059743
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC Name1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)7-4-8-20(18,19)17-10(9(15)16)5-2-1-3-6-10/h17H,1-8H2,(H3,15,16)
InChIKeyJWQHAMAVHPIPRR-UHFFFAOYSA-N
XLogP1.89
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(Difluoromethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide
CID 64407589
1-(Difluoromethylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64408200
1-(Difluoromethylsulfonylamino)cyclohexane-1-carboximidamide
CID 64413118
1-(4,4,4-Trifluorobutylsulfonylamino)cycloheptane-1-carboximidamide
CID 83046773
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83047154
2-Cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83048045
4-Methyl-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83048046
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83058245
2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058259
1-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83059128
1-(difluoromethylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 112495776
1-(Cyclohexylmethylsulfonylamino)cycloheptane-1-carboximidamide
CID 64405708

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide (CID 83059743) is 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
The InChIKey is JWQHAMAVHPIPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)7-4-8-20(18,19)17-10(9(15)16)5-2-1-3-6-10/h17H,1-8H2,(H3,15,16).
What are the key properties of 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide?
1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide has a molecular weight of 315.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 83059743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).