2-(2-methylthiomorpholin-4-yl)ethanol

C7H15NOS — CID 86005948

IUPAC2-(2-methylthiomorpholin-4-yl)ethanol
SMILESCC1CN(CCO)CCS1
InChIInChI=1S/C7H15NOS/c1-7-6-8(2-4-9)3-5-10-7/h7,9H,2-6H2,1H3
InChIKeySLNUTTMZDUOLFT-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds2

About 2-(2-methylthiomorpholin-4-yl)ethanol

2-(2-methylthiomorpholin-4-yl)ethanol (PubChem CID 86005948) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(2-methylthiomorpholin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylthiomorpholin-4-yl)ethanol
PubChem CID86005948
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(2-methylthiomorpholin-4-yl)ethanol
SMILESCC1CN(CCO)CCS1
InChIInChI=1S/C7H15NOS/c1-7-6-8(2-4-9)3-5-10-7/h7,9H,2-6H2,1H3
InChIKeySLNUTTMZDUOLFT-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiomorpholin-4-yl)ethanol?
The IUPAC name of 2-(2-methylthiomorpholin-4-yl)ethanol (CID 86005948) is 2-(2-methylthiomorpholin-4-yl)ethanol.
What is the SMILES notation for 2-(2-methylthiomorpholin-4-yl)ethanol?
The canonical SMILES for 2-(2-methylthiomorpholin-4-yl)ethanol is CC1CN(CCO)CCS1.
What is the InChIKey of 2-(2-methylthiomorpholin-4-yl)ethanol?
The InChIKey is SLNUTTMZDUOLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7-6-8(2-4-9)3-5-10-7/h7,9H,2-6H2,1H3.
What are the key properties of 2-(2-methylthiomorpholin-4-yl)ethanol?
2-(2-methylthiomorpholin-4-yl)ethanol has a molecular weight of 161.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiomorpholin-4-yl)ethanol is sourced from PubChem (CID 86005948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).