N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide

C11H22F3N3O3S — CID 83047155

IUPACN'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-9(2)8-17(6-4-10(15)16-18)21(19,20)7-3-5-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyHHSXJYCYHKMRNI-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.75
Rot. Bonds9

About N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide (PubChem CID 83047155) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
PubChem CID83047155
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC NameN'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-9(2)8-17(6-4-10(15)16-18)21(19,20)7-3-5-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyHHSXJYCYHKMRNI-UHFFFAOYSA-N
XLogP1.75
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
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'}

Analyze N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide (CID 83047155) is N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide is CC(C)CN(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The InChIKey is HHSXJYCYHKMRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-9(2)8-17(6-4-10(15)16-18)21(19,20)7-3-5-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide has a molecular weight of 333.38 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 83047155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).