(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine

C9H10F3NS — CID 177018593

IUPAC(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
SMILESCN[C@@H]1Cc2scc(C(F)(F)F)c2C1
InChIInChI=1S/C9H10F3NS/c1-13-5-2-6-7(9(10,11)12)4-14-8(6)3-5/h4-5,13H,2-3H2,1H3/t5-/m0/s1
InChIKeyJVEFHJBZBMYTQV-YFKPBYRVSA-N
MW221.25 g/mol
LogP2.45
Rot. Bonds1

About (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine

(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine (PubChem CID 177018593) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine.

Molecular Properties

Compound Name(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
PubChem CID177018593
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine
SMILESCN[C@@H]1Cc2scc(C(F)(F)F)c2C1
InChIInChI=1S/C9H10F3NS/c1-13-5-2-6-7(9(10,11)12)4-14-8(6)3-5/h4-5,13H,2-3H2,1H3/t5-/m0/s1
InChIKeyJVEFHJBZBMYTQV-YFKPBYRVSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
The IUPAC name of (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine (CID 177018593) is (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine.
What is the SMILES notation for (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
The canonical SMILES for (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine is CN[C@@H]1Cc2scc(C(F)(F)F)c2C1.
What is the InChIKey of (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
The InChIKey is JVEFHJBZBMYTQV-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-13-5-2-6-7(9(10,11)12)4-14-8(6)3-5/h4-5,13H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine?
(5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine has a molecular weight of 221.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-5-amine is sourced from PubChem (CID 177018593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).