N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide

C9H18F3N3O3S — CID 83060145

IUPACN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
SMILESCCCC(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H18F3N3O3S/c1-2-4-7(8(13)14-16)15-19(17,18)6-3-5-9(10,11)12/h7,15-16H,2-6H2,1H3,(H2,13,14)
InChIKeyDEQPQQFDENJQIV-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.16
Rot. Bonds8

About N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide

N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide (PubChem CID 83060145) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
PubChem CID83060145
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC NameN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
SMILESCCCC(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H18F3N3O3S/c1-2-4-7(8(13)14-16)15-19(17,18)6-3-5-9(10,11)12/h7,15-16H,2-6H2,1H3,(H2,13,14)
InChIKeyDEQPQQFDENJQIV-UHFFFAOYSA-N
XLogP1.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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': '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

3-[(Difluoromethanesulfonyl)amino]-N-hydroxypentanimidamide
CID 62651828
3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
CID 76947699
N'-hydroxy-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanimidamide
CID 83057940
5-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058261
2-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058407
2-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058547
N'-hydroxy-3-methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058663
2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83058807
3-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058820
N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
CID 83058937
3-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058951
N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
CID 83059581

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide (CID 83060145) is N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide is CCCC(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The InChIKey is DEQPQQFDENJQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-2-4-7(8(13)14-16)15-19(17,18)6-3-5-9(10,11)12/h7,15-16H,2-6H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide has a molecular weight of 305.32 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide is sourced from PubChem (CID 83060145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).