(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone

C12H14FNO2S — CID 116609664

IUPAC(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
SMILESCOc1ccc(F)cc1C(=O)C1CSCCN1
InChIInChI=1S/C12H14FNO2S/c1-16-11-3-2-8(13)6-9(11)12(15)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyZJILSZLSSSVTMZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.72
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone

(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone (PubChem CID 116609664) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
PubChem CID116609664
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
SMILESCOc1ccc(F)cc1C(=O)C1CSCCN1
InChIInChI=1S/C12H14FNO2S/c1-16-11-3-2-8(13)6-9(11)12(15)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyZJILSZLSSSVTMZ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
(3-bromo-2,4-dimethoxyphenyl)-thiomorpholin-3-ylmethanone
CID 103524357
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909471
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437
(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609477
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66422032
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 102839670
N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909229
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone (CID 116609664) is (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone is COc1ccc(F)cc1C(=O)C1CSCCN1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone?
The InChIKey is ZJILSZLSSSVTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c1-16-11-3-2-8(13)6-9(11)12(15)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone?
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone has a molecular weight of 255.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 116609664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).