3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide

C8H9F3N2OS2 — CID 103371309

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
SMILESN/C(=N/O)C(CSc1cccs1)C(F)(F)F
InChIInChI=1S/C8H9F3N2OS2/c9-8(10,11)5(7(12)13-14)4-16-6-2-1-3-15-6/h1-3,5,14H,4H2,(H2,12,13)
InChIKeyHVRGEKHVNSPICL-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.77
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide (PubChem CID 103371309) has the molecular formula C8H9F3N2OS2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
PubChem CID103371309
Molecular FormulaC8H9F3N2OS2
Molecular Weight270.30 g/mol
Exact Mass270.01
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
SMILESN/C(=N/O)C(CSc1cccs1)C(F)(F)F
InChIInChI=1S/C8H9F3N2OS2/c9-8(10,11)5(7(12)13-14)4-16-6-2-1-3-15-6/h1-3,5,14H,4H2,(H2,12,13)
InChIKeyHVRGEKHVNSPICL-UHFFFAOYSA-N
XLogP2.77
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.77
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'}

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Related Compounds

N-Hydroxy-2-(2-thienylthio)ethanimidamide
CID 2819636
N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide
CID 5715529
N-Hydroxy[(thiophen-2-yl)sulfanyl]ethanimidamide
CID 9584229
3,3,3-Trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
CID 103371409
N'-hydroxy-4-thiophen-2-ylsulfanylbutanimidamide
CID 43200142
N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide
CID 43200144
N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide
CID 43369063
N'-hydroxy-2-methyl-3-thiophen-2-ylsulfanylpropanimidamide
CID 43369064
2-Methyl-3-thiophen-2-ylsulfanylpropanimidamide
CID 43369098
N'-hydroxy-5-thiophen-2-ylsulfanylpentanimidamide
CID 61524417
N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide
CID 76883599
N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide
CID 76915456

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide (CID 103371309) is 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide is N/C(=N/O)C(CSc1cccs1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
The InChIKey is HVRGEKHVNSPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS2/c9-8(10,11)5(7(12)13-14)4-16-6-2-1-3-15-6/h1-3,5,14H,4H2,(H2,12,13).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide has a molecular weight of 270.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide is sourced from PubChem (CID 103371309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).