[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid

C10H12F3NO3S — CID 146099067

IUPAC[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESNC[C@@H]1OCCc2ccsc21.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11NOS.C2HF3O2/c9-5-7-8-6(1-3-10-7)2-4-11-8;3-2(4,5)1(6)7/h2,4,7H,1,3,5,9H2;(H,6,7)/t7-;/m0./s1
InChIKeyFHKFVQSPRIREAS-FJXQXJEOSA-N
MW283.27 g/mol
LogP1.95
Rot. Bonds1

About [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid

[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 146099067) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID146099067
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESNC[C@@H]1OCCc2ccsc21.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11NOS.C2HF3O2/c9-5-7-8-6(1-3-10-7)2-4-11-8;3-2(4,5)1(6)7/h2,4,7H,1,3,5,9H2;(H,6,7)/t7-;/m0./s1
InChIKeyFHKFVQSPRIREAS-FJXQXJEOSA-N
XLogP1.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid (CID 146099067) is [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid is NC[C@@H]1OCCc2ccsc21.O=C(O)C(F)(F)F.
What is the InChIKey of [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is FHKFVQSPRIREAS-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H11NOS.C2HF3O2/c9-5-7-8-6(1-3-10-7)2-4-11-8;3-2(4,5)1(6)7/h2,4,7H,1,3,5,9H2;(H,6,7)/t7-;/m0./s1.
What are the key properties of [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid?
[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 283.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146099067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).