N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C15H20F3NS — CID 64755679

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2cc3c(s2)CCC3)CC1
InChIInChI=1S/C15H20F3NS/c16-15(17,18)11-4-6-12(7-5-11)19-9-13-8-10-2-1-3-14(10)20-13/h8,11-12,19H,1-7,9H2
InChIKeyAAEJYARDMVZMEI-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.45
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755679) has the molecular formula C15H20F3NS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755679
Molecular FormulaC15H20F3NS
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2cc3c(s2)CCC3)CC1
InChIInChI=1S/C15H20F3NS/c16-15(17,18)11-4-6-12(7-5-11)19-9-13-8-10-2-1-3-14(10)20-13/h8,11-12,19H,1-7,9H2
InChIKeyAAEJYARDMVZMEI-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755679) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCc2cc3c(s2)CCC3)CC1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AAEJYARDMVZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NS/c16-15(17,18)11-4-6-12(7-5-11)19-9-13-8-10-2-1-3-14(10)20-13/h8,11-12,19H,1-7,9H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 303.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).