(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone

C12H14FNOS — CID 103595300

IUPAC(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCN1CCSCC1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNOS/c1-14-5-6-16-8-11(14)12(15)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyWIRRELXNMQUAME-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.06
Rot. Bonds2

About (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone

(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone (PubChem CID 103595300) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
PubChem CID103595300
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCN1CCSCC1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNOS/c1-14-5-6-16-8-11(14)12(15)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyWIRRELXNMQUAME-UHFFFAOYSA-N
XLogP2.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595193
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiomorpholin-3-yl)methanone
CID 103595473
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
(3-fluorophenyl)-(2-methylcyclopropyl)methanone
CID 65421676
(4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone
CID 103595424
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114962696
[3-[(dimethylamino)methyl]-1,4-thiazepan-4-yl]-(3-fluorophenyl)methanone
CID 90568108
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
CID 103595186
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 114166030
2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595311

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone (CID 103595300) is (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone is CN1CCSCC1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone?
The InChIKey is WIRRELXNMQUAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-14-5-6-16-8-11(14)12(15)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone?
(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone has a molecular weight of 239.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone is sourced from PubChem (CID 103595300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).