2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide

C12H15F3N2OS — CID 79805618

IUPAC2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCc1cc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-11(16,12(13,14)15)10(18)17-6-8-5-7-3-2-4-9(7)19-8/h5H,2-4,6,16H2,1H3,(H,17,18)
InChIKeyYGEKQLRDANQLBD-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79805618) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79805618
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCc1cc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-11(16,12(13,14)15)10(18)17-6-8-5-7-3-2-4-9(7)19-8/h5H,2-4,6,16H2,1H3,(H,17,18)
InChIKeyYGEKQLRDANQLBD-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79805618) is 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCc1cc2c(s1)CCC2)C(F)(F)F.
What is the InChIKey of 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is YGEKQLRDANQLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-11(16,12(13,14)15)10(18)17-6-8-5-7-3-2-4-9(7)19-8/h5H,2-4,6,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 292.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79805618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).