(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol

C14H20FNOS — CID 104874581

IUPAC(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCC1SCCN(c2ccc([C@H](C)O)cc2F)C1C
InChIInChI=1S/C14H20FNOS/c1-9-11(3)18-7-6-16(9)14-5-4-12(10(2)17)8-13(14)15/h4-5,8-11,17H,6-7H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyVGONFJABRCHYFS-YVNMAJEFSA-N
MW269.38 g/mol
LogP3.21
Rot. Bonds2

About (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol

(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol (PubChem CID 104874581) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol
PubChem CID104874581
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCC1SCCN(c2ccc([C@H](C)O)cc2F)C1C
InChIInChI=1S/C14H20FNOS/c1-9-11(3)18-7-6-16(9)14-5-4-12(10(2)17)8-13(14)15/h4-5,8-11,17H,6-7H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyVGONFJABRCHYFS-YVNMAJEFSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol (CID 104874581) is (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol is CC1SCCN(c2ccc([C@H](C)O)cc2F)C1C.
What is the InChIKey of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol?
The InChIKey is VGONFJABRCHYFS-YVNMAJEFSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-9-11(3)18-7-6-16(9)14-5-4-12(10(2)17)8-13(14)15/h4-5,8-11,17H,6-7H2,1-3H3/t9?,10-,11?/m0/s1.
What are the key properties of (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol?
(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol has a molecular weight of 269.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 104874581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).