1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine

C9H12FNOS — CID 166519253

IUPAC1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
SMILESCNCC1OCC(F)c2ccsc21
InChIInChI=1S/C9H12FNOS/c1-11-4-8-9-6(2-3-13-9)7(10)5-12-8/h2-3,7-8,11H,4-5H2,1H3
InChIKeyOYCLKSGBRBEJKX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine

1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine (PubChem CID 166519253) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
PubChem CID166519253
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
SMILESCNCC1OCC(F)c2ccsc21
InChIInChI=1S/C9H12FNOS/c1-11-4-8-9-6(2-3-13-9)7(10)5-12-8/h2-3,7-8,11H,4-5H2,1H3
InChIKeyOYCLKSGBRBEJKX-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine (CID 166519253) is 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine is CNCC1OCC(F)c2ccsc21.
What is the InChIKey of 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The InChIKey is OYCLKSGBRBEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-11-4-8-9-6(2-3-13-9)7(10)5-12-8/h2-3,7-8,11H,4-5H2,1H3.
What are the key properties of 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 166519253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).