5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine

C14H21NOS — CID 66229689

IUPAC5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine
SMILESCCOc1ccccc1C1CSCC(C)(C)N1
InChIInChI=1S/C14H21NOS/c1-4-16-13-8-6-5-7-11(13)12-9-17-10-14(2,3)15-12/h5-8,12,15H,4,9-10H2,1-3H3
InChIKeyOYECIXDSSYZYGP-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.24
Rot. Bonds3

About 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine

5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine (PubChem CID 66229689) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine
PubChem CID66229689
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine
SMILESCCOc1ccccc1C1CSCC(C)(C)N1
InChIInChI=1S/C14H21NOS/c1-4-16-13-8-6-5-7-11(13)12-9-17-10-14(2,3)15-12/h5-8,12,15H,4,9-10H2,1-3H3
InChIKeyOYECIXDSSYZYGP-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine?
The IUPAC name of 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine (CID 66229689) is 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine?
The canonical SMILES for 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine is CCOc1ccccc1C1CSCC(C)(C)N1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine?
The InChIKey is OYECIXDSSYZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-16-13-8-6-5-7-11(13)12-9-17-10-14(2,3)15-12/h5-8,12,15H,4,9-10H2,1-3H3.
What are the key properties of 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine?
5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine has a molecular weight of 251.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine is sourced from PubChem (CID 66229689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).