3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide

C10H14F3N3S — CID 103370580

IUPAC3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)Cc1cccs1)C(F)(F)F
InChIInChI=1S/C10H14F3N3S/c1-16(5-7-3-2-4-17-7)6-8(9(14)15)10(11,12)13/h2-4,8H,5-6H2,1H3,(H3,14,15)
InChIKeyMTSRRUBXBHUULP-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.29
Rot. Bonds5

About 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide (PubChem CID 103370580) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide
PubChem CID103370580
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)Cc1cccs1)C(F)(F)F
InChIInChI=1S/C10H14F3N3S/c1-16(5-7-3-2-4-17-7)6-8(9(14)15)10(11,12)13/h2-4,8H,5-6H2,1H3,(H3,14,15)
InChIKeyMTSRRUBXBHUULP-UHFFFAOYSA-N
XLogP2.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide (CID 103370580) is 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)Cc1cccs1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide?
The InChIKey is MTSRRUBXBHUULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-16(5-7-3-2-4-17-7)6-8(9(14)15)10(11,12)13/h2-4,8H,5-6H2,1H3,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide has a molecular weight of 265.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).