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

C13H16FNOS — CID 103595159

IUPAC(5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)C1CSCCN1C
InChIInChI=1S/C13H16FNOS/c1-9-3-4-10(14)7-11(9)13(16)12-8-17-6-5-15(12)2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyHKQWLBLGHOTGDL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.36
Rot. Bonds2

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

(5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone (PubChem CID 103595159) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone
PubChem CID103595159
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Name(5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)C1CSCCN1C
InChIInChI=1S/C13H16FNOS/c1-9-3-4-10(14)7-11(9)13(16)12-8-17-6-5-15(12)2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyHKQWLBLGHOTGDL-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone (CID 103595159) is (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone is Cc1ccc(F)cc1C(=O)C1CSCCN1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone?
The InChIKey is HKQWLBLGHOTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS/c1-9-3-4-10(14)7-11(9)13(16)12-8-17-6-5-15(12)2/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone?
(5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone has a molecular weight of 253.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone is sourced from PubChem (CID 103595159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).