1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine

C11H16FNOS — CID 53237820

IUPAC1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
SMILESCCc1c(F)sc2c1C(CNC)OCC2
InChIInChI=1S/C11H16FNOS/c1-3-7-10-8(6-13-2)14-5-4-9(10)15-11(7)12/h8,13H,3-6H2,1-2H3
InChIKeyHESRRSSBZRLJSE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.28
Rot. Bonds3

About 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine

1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine (PubChem CID 53237820) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
PubChem CID53237820
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
SMILESCCc1c(F)sc2c1C(CNC)OCC2
InChIInChI=1S/C11H16FNOS/c1-3-7-10-8(6-13-2)14-5-4-9(10)15-11(7)12/h8,13H,3-6H2,1-2H3
InChIKeyHESRRSSBZRLJSE-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine with MolForge

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Related Compounds

Ulotaront
CID 89532783
methyl({[(4R)-4H,6H,7H-thieno[3,2-c]pyran-4-yl]methyl})amine
CID 53237585
6,7-Dihydro-N-methyl-4H-thieno[3,4-c]pyran-4-methanamine
CID 53239199
(Rac)-SEP-363856
CID 68335002
1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 89532773
1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 167437559
1-(5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 178313545
1-[5-(methoxymethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 178314040
2-Fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]
CID 53238742
(2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
CID 67255681
N-methyl-1-(3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
CID 67257571
1-(2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
CID 67257617

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine (CID 53237820) is 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine is CCc1c(F)sc2c1C(CNC)OCC2.
What is the InChIKey of 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
The InChIKey is HESRRSSBZRLJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-3-7-10-8(6-13-2)14-5-4-9(10)15-11(7)12/h8,13H,3-6H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine has a molecular weight of 229.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine is sourced from PubChem (CID 53237820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).