2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide

C10H15F3N2OS — CID 581835

IUPAC2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide
SMILESCC(NC(=O)C(F)(F)F)C(=S)N1CCCCC1
InChIInChI=1S/C10H15F3N2OS/c1-7(14-9(16)10(11,12)13)8(17)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,14,16)
InChIKeyJXEFYMQJQSQXIE-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.87
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide

2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide (PubChem CID 581835) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide
PubChem CID581835
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide
SMILESCC(NC(=O)C(F)(F)F)C(=S)N1CCCCC1
InChIInChI=1S/C10H15F3N2OS/c1-7(14-9(16)10(11,12)13)8(17)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,14,16)
InChIKeyJXEFYMQJQSQXIE-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide (CID 581835) is 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide is CC(NC(=O)C(F)(F)F)C(=S)N1CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide?
The InChIKey is JXEFYMQJQSQXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-7(14-9(16)10(11,12)13)8(17)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide?
2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide has a molecular weight of 268.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)acetamide is sourced from PubChem (CID 581835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).