2-(2,5-dimethylthiomorpholin-4-yl)ethanol

C8H17NOS — CID 86005954

IUPAC2-(2,5-dimethylthiomorpholin-4-yl)ethanol
SMILESCC1CN(CCO)C(C)CS1
InChIInChI=1S/C8H17NOS/c1-7-6-11-8(2)5-9(7)3-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyBLVXMSUXBDEICV-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.80
Rot. Bonds2

About 2-(2,5-dimethylthiomorpholin-4-yl)ethanol

2-(2,5-dimethylthiomorpholin-4-yl)ethanol (PubChem CID 86005954) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(2,5-dimethylthiomorpholin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylthiomorpholin-4-yl)ethanol
PubChem CID86005954
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(2,5-dimethylthiomorpholin-4-yl)ethanol
SMILESCC1CN(CCO)C(C)CS1
InChIInChI=1S/C8H17NOS/c1-7-6-11-8(2)5-9(7)3-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyBLVXMSUXBDEICV-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiomorpholin-4-yl)ethanol?
The IUPAC name of 2-(2,5-dimethylthiomorpholin-4-yl)ethanol (CID 86005954) is 2-(2,5-dimethylthiomorpholin-4-yl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylthiomorpholin-4-yl)ethanol?
The canonical SMILES for 2-(2,5-dimethylthiomorpholin-4-yl)ethanol is CC1CN(CCO)C(C)CS1.
What is the InChIKey of 2-(2,5-dimethylthiomorpholin-4-yl)ethanol?
The InChIKey is BLVXMSUXBDEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7-6-11-8(2)5-9(7)3-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthiomorpholin-4-yl)ethanol?
2-(2,5-dimethylthiomorpholin-4-yl)ethanol has a molecular weight of 175.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiomorpholin-4-yl)ethanol is sourced from PubChem (CID 86005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).