2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol

C14H21NOS — CID 113246314

IUPAC2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
SMILESCCC1CN(CC(O)c2ccccc2)CCS1
InChIInChI=1S/C14H21NOS/c1-2-13-10-15(8-9-17-13)11-14(16)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3
InChIKeyRNYQEHVXJUVVPZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.55
Rot. Bonds4

About 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol

2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol (PubChem CID 113246314) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
PubChem CID113246314
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
SMILESCCC1CN(CC(O)c2ccccc2)CCS1
InChIInChI=1S/C14H21NOS/c1-2-13-10-15(8-9-17-13)11-14(16)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3
InChIKeyRNYQEHVXJUVVPZ-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol (CID 113246314) is 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol is CCC1CN(CC(O)c2ccccc2)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol?
The InChIKey is RNYQEHVXJUVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-13-10-15(8-9-17-13)11-14(16)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3.
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol?
2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol has a molecular weight of 251.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol is sourced from PubChem (CID 113246314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).