1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine

C15H20FNOS — CID 142457156

IUPAC1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
SMILESCOC(c1ccc(C2=CCSCC2)cc1)C(N)CF
InChIInChI=1S/C15H20FNOS/c1-18-15(14(17)10-16)13-4-2-11(3-5-13)12-6-8-19-9-7-12/h2-6,14-15H,7-10,17H2,1H3
InChIKeyJRJLCPXBNHRJIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine

1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine (PubChem CID 142457156) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
PubChem CID142457156
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
SMILESCOC(c1ccc(C2=CCSCC2)cc1)C(N)CF
InChIInChI=1S/C15H20FNOS/c1-18-15(14(17)10-16)13-4-2-11(3-5-13)12-6-8-19-9-7-12/h2-6,14-15H,7-10,17H2,1H3
InChIKeyJRJLCPXBNHRJIN-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The IUPAC name of 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine (CID 142457156) is 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine.
What is the SMILES notation for 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The canonical SMILES for 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine is COC(c1ccc(C2=CCSCC2)cc1)C(N)CF.
What is the InChIKey of 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The InChIKey is JRJLCPXBNHRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-18-15(14(17)10-16)13-4-2-11(3-5-13)12-6-8-19-9-7-12/h2-6,14-15H,7-10,17H2,1H3.
What are the key properties of 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine is sourced from PubChem (CID 142457156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).