2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2OS — CID 61492138

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cc2c(s1)CCC2)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)7-17-11(18)6-16-5-9-4-8-2-1-3-10(8)19-9/h4,16H,1-3,5-7H2,(H,17,18)
InChIKeyRRSJZOQLWYDYJU-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.00
Rot. Bonds5

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492138) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492138
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cc2c(s1)CCC2)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)7-17-11(18)6-16-5-9-4-8-2-1-3-10(8)19-9/h4,16H,1-3,5-7H2,(H,17,18)
InChIKeyRRSJZOQLWYDYJU-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 61492138) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1cc2c(s1)CCC2)NCC(F)(F)F.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RRSJZOQLWYDYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c13-12(14,15)7-17-11(18)6-16-5-9-4-8-2-1-3-10(8)19-9/h4,16H,1-3,5-7H2,(H,17,18).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 292.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).