1-thiomorpholin-3-ylethanol

C6H13NOS — CID 23090232

IUPAC1-thiomorpholin-3-ylethanol
SMILESCC(O)C1CSCCN1
InChIInChI=1S/C6H13NOS/c1-5(8)6-4-9-3-2-7-6/h5-8H,2-4H2,1H3
InChIKeyPDJANZVEQHWHFD-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.07
Rot. Bonds1

About 1-thiomorpholin-3-ylethanol

1-thiomorpholin-3-ylethanol (PubChem CID 23090232) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-thiomorpholin-3-ylethanol.

Molecular Properties

Compound Name1-thiomorpholin-3-ylethanol
PubChem CID23090232
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-thiomorpholin-3-ylethanol
SMILESCC(O)C1CSCCN1
InChIInChI=1S/C6H13NOS/c1-5(8)6-4-9-3-2-7-6/h5-8H,2-4H2,1H3
InChIKeyPDJANZVEQHWHFD-UHFFFAOYSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-3-ylethanol?
The IUPAC name of 1-thiomorpholin-3-ylethanol (CID 23090232) is 1-thiomorpholin-3-ylethanol.
What is the SMILES notation for 1-thiomorpholin-3-ylethanol?
The canonical SMILES for 1-thiomorpholin-3-ylethanol is CC(O)C1CSCCN1.
What is the InChIKey of 1-thiomorpholin-3-ylethanol?
The InChIKey is PDJANZVEQHWHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(8)6-4-9-3-2-7-6/h5-8H,2-4H2,1H3.
What are the key properties of 1-thiomorpholin-3-ylethanol?
1-thiomorpholin-3-ylethanol has a molecular weight of 147.24 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-3-ylethanol is sourced from PubChem (CID 23090232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).