5-ethyl-2-methyl-3-phenylthiomorpholine

C13H19NS — CID 66230765

IUPAC5-ethyl-2-methyl-3-phenylthiomorpholine
SMILESCCC1CSC(C)C(c2ccccc2)N1
InChIInChI=1S/C13H19NS/c1-3-12-9-15-10(2)13(14-12)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3
InChIKeyNRSDGVBHHDTHCQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.23
Rot. Bonds2

About 5-ethyl-2-methyl-3-phenylthiomorpholine

5-ethyl-2-methyl-3-phenylthiomorpholine (PubChem CID 66230765) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3-phenylthiomorpholine.

Molecular Properties

Compound Name5-ethyl-2-methyl-3-phenylthiomorpholine
PubChem CID66230765
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name5-ethyl-2-methyl-3-phenylthiomorpholine
SMILESCCC1CSC(C)C(c2ccccc2)N1
InChIInChI=1S/C13H19NS/c1-3-12-9-15-10(2)13(14-12)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3
InChIKeyNRSDGVBHHDTHCQ-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3-phenylthiomorpholine?
The IUPAC name of 5-ethyl-2-methyl-3-phenylthiomorpholine (CID 66230765) is 5-ethyl-2-methyl-3-phenylthiomorpholine.
What is the SMILES notation for 5-ethyl-2-methyl-3-phenylthiomorpholine?
The canonical SMILES for 5-ethyl-2-methyl-3-phenylthiomorpholine is CCC1CSC(C)C(c2ccccc2)N1.
What is the InChIKey of 5-ethyl-2-methyl-3-phenylthiomorpholine?
The InChIKey is NRSDGVBHHDTHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-12-9-15-10(2)13(14-12)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-3-phenylthiomorpholine?
5-ethyl-2-methyl-3-phenylthiomorpholine has a molecular weight of 221.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3-phenylthiomorpholine is sourced from PubChem (CID 66230765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).