2-thiomorpholin-4-ylethanol

C6H13NOS — CID 575659

IUPAC2-thiomorpholin-4-ylethanol
SMILESOCCN1CCSCC1
InChIInChI=1S/C6H13NOS/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
InChIKeyQJYGLIBXIXQRHZ-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.03
Rot. Bonds2

About 2-thiomorpholin-4-ylethanol

2-thiomorpholin-4-ylethanol (PubChem CID 575659) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylethanol.

Molecular Properties

Compound Name2-thiomorpholin-4-ylethanol
PubChem CID575659
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-thiomorpholin-4-ylethanol
SMILESOCCN1CCSCC1
InChIInChI=1S/C6H13NOS/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
InChIKeyQJYGLIBXIXQRHZ-UHFFFAOYSA-N
XLogP0.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylethanol?
The IUPAC name of 2-thiomorpholin-4-ylethanol (CID 575659) is 2-thiomorpholin-4-ylethanol.
What is the SMILES notation for 2-thiomorpholin-4-ylethanol?
The canonical SMILES for 2-thiomorpholin-4-ylethanol is OCCN1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylethanol?
The InChIKey is QJYGLIBXIXQRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2.
What are the key properties of 2-thiomorpholin-4-ylethanol?
2-thiomorpholin-4-ylethanol has a molecular weight of 147.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylethanol is sourced from PubChem (CID 575659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).