N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide

C9H18F3N3O3S — CID 83058937

IUPACN'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
SMILESNC(CCCCNS(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C9H18F3N3O3S/c10-9(11,12)5-3-7-19(17,18)14-6-2-1-4-8(13)15-16/h14,16H,1-7H2,(H2,13,15)
InChIKeyZCPQZGXEPFSCJY-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.16
Rot. Bonds9

About N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide

N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide (PubChem CID 83058937) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
PubChem CID83058937
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC NameN'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
SMILESNC(CCCCNS(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C9H18F3N3O3S/c10-9(11,12)5-3-7-19(17,18)14-6-2-1-4-8(13)15-16/h14,16H,1-7H2,(H2,13,15)
InChIKeyZCPQZGXEPFSCJY-UHFFFAOYSA-N
XLogP1.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
CID 76953042
5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036691
N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83058108
4-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058260
5-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058261
2-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058547
2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83058807
3-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058951
N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83059582
N'-hydroxy-4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83059729
N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
CID 83059730
N'-hydroxy-2-methyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
CID 83059863

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide (CID 83058937) is N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide is NC(CCCCNS(=O)(=O)CCCC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The InChIKey is ZCPQZGXEPFSCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c10-9(11,12)5-3-7-19(17,18)14-6-2-1-4-8(13)15-16/h14,16H,1-7H2,(H2,13,15).
What are the key properties of N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide has a molecular weight of 305.32 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide is sourced from PubChem (CID 83058937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).