5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine

C13H18FNS — CID 112680184

IUPAC5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine
SMILESCCC1CSC(C)C(c2ccccc2F)N1
InChIInChI=1S/C13H18FNS/c1-3-10-8-16-9(2)13(15-10)11-6-4-5-7-12(11)14/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyRDQNYHSLYKJIRM-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.37
Rot. Bonds2

About 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine

5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine (PubChem CID 112680184) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine.

Molecular Properties

Compound Name5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine
PubChem CID112680184
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine
SMILESCCC1CSC(C)C(c2ccccc2F)N1
InChIInChI=1S/C13H18FNS/c1-3-10-8-16-9(2)13(15-10)11-6-4-5-7-12(11)14/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyRDQNYHSLYKJIRM-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methyl-3-phenylthiomorpholine
CID 66230765
3-(4-bromophenyl)-5-ethyl-2-methylthiomorpholine
CID 66228189
3-(2-fluorophenyl)-2-methyl-1,4-thiazepane
CID 112680172
2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazolidine
CID 66229355
2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazolidine
CID 66231451
2-(2-fluorophenyl)-4-methylazetidine
CID 116822055
5-(4-ethyl-1,3-thiazolidin-2-yl)-2-fluorobenzonitrile
CID 107936736
3-(2-fluorophenyl)-5-methyl-1,4-thiazepane
CID 66234428
3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
CID 66218911
2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine
CID 115528350
2,4-diethyl-1,3-thiazolidine
CID 66229819
3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine
CID 131076356

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine?
The IUPAC name of 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine (CID 112680184) is 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine.
What is the SMILES notation for 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine?
The canonical SMILES for 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine is CCC1CSC(C)C(c2ccccc2F)N1.
What is the InChIKey of 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine?
The InChIKey is RDQNYHSLYKJIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-3-10-8-16-9(2)13(15-10)11-6-4-5-7-12(11)14/h4-7,9-10,13,15H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine?
5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine has a molecular weight of 239.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-fluorophenyl)-2-methylthiomorpholine is sourced from PubChem (CID 112680184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).