N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide

C6H12F3N3OS — CID 106429226

IUPACN'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide
SMILESNC(CCNCCSC(F)(F)F)=NO
InChIInChI=1S/C6H12F3N3OS/c7-6(8,9)14-4-3-11-2-1-5(10)12-13/h11,13H,1-4H2,(H2,10,12)
InChIKeySDZFLTAXVHYIKL-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.97
Rot. Bonds6

About N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide

N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide (PubChem CID 106429226) has the molecular formula C6H12F3N3OS and a molecular weight of 231.24 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide
PubChem CID106429226
Molecular FormulaC6H12F3N3OS
Molecular Weight231.24 g/mol
Exact Mass231.07
IUPAC NameN'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide
SMILESNC(CCNCCSC(F)(F)F)=NO
InChIInChI=1S/C6H12F3N3OS/c7-6(8,9)14-4-3-11-2-1-5(10)12-13/h11,13H,1-4H2,(H2,10,12)
InChIKeySDZFLTAXVHYIKL-UHFFFAOYSA-N
XLogP0.97
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.97
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

N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
N'-hydroxy-2-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide
CID 106429236
2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
CID 106237612
2-(trifluoromethylsulfanyl)ethylthiourea
CID 106427135
2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
CID 83203983
N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 116615333
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 114616982
1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615757
N'-hydroxy-3-[(4-hydroxy-2,2-dimethylbutyl)amino]propanimidamide
CID 106148623
N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-yn-1-amine
CID 116643936
10,10,10-trifluoro-N'-hydroxydecanimidamide
CID 172857318
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide (CID 106429226) is N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide is NC(CCNCCSC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide?
The InChIKey is SDZFLTAXVHYIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3OS/c7-6(8,9)14-4-3-11-2-1-5(10)12-13/h11,13H,1-4H2,(H2,10,12).
What are the key properties of N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide?
N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide has a molecular weight of 231.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide is sourced from PubChem (CID 106429226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).