(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone

C12H14FNO2S — CID 115299119

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO2S/c1-8-7-17-5-4-14(8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyATQAGLHMPDXTCG-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.11
Rot. Bonds1

About (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone (PubChem CID 115299119) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone
PubChem CID115299119
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO2S/c1-8-7-17-5-4-14(8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyATQAGLHMPDXTCG-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone (CID 115299119) is (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone is CC1CSCCN1C(=O)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone?
The InChIKey is ATQAGLHMPDXTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c1-8-7-17-5-4-14(8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone has a molecular weight of 255.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 115299119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).