(3-fluorophenyl)-thiomorpholin-3-ylmethanone

C11H12FNOS — CID 116609632

IUPAC(3-fluorophenyl)-thiomorpholin-3-ylmethanone
SMILESO=C(c1cccc(F)c1)C1CSCCN1
InChIInChI=1S/C11H12FNOS/c12-9-3-1-2-8(6-9)11(14)10-7-15-5-4-13-10/h1-3,6,10,13H,4-5,7H2
InChIKeyVLPXSAQEDJGZBF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.71
Rot. Bonds2

About (3-fluorophenyl)-thiomorpholin-3-ylmethanone

(3-fluorophenyl)-thiomorpholin-3-ylmethanone (PubChem CID 116609632) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is (3-fluorophenyl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-fluorophenyl)-thiomorpholin-3-ylmethanone
PubChem CID116609632
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name(3-fluorophenyl)-thiomorpholin-3-ylmethanone
SMILESO=C(c1cccc(F)c1)C1CSCCN1
InChIInChI=1S/C11H12FNOS/c12-9-3-1-2-8(6-9)11(14)10-7-15-5-4-13-10/h1-3,6,10,13H,4-5,7H2
InChIKeyVLPXSAQEDJGZBF-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

thiomorpholin-3-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 116609647
(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
CID 114607772
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664
(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595300
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342
(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 116609720
3-fluoro-N-[3-[(2-thiomorpholin-3-ylacetyl)amino]propyl]benzamide
CID 119939089
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936273
2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (3-fluorophenyl)-thiomorpholin-3-ylmethanone (CID 116609632) is (3-fluorophenyl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (3-fluorophenyl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (3-fluorophenyl)-thiomorpholin-3-ylmethanone is O=C(c1cccc(F)c1)C1CSCCN1.
What is the InChIKey of (3-fluorophenyl)-thiomorpholin-3-ylmethanone?
The InChIKey is VLPXSAQEDJGZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-9-3-1-2-8(6-9)11(14)10-7-15-5-4-13-10/h1-3,6,10,13H,4-5,7H2.
What are the key properties of (3-fluorophenyl)-thiomorpholin-3-ylmethanone?
(3-fluorophenyl)-thiomorpholin-3-ylmethanone has a molecular weight of 225.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 116609632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).