4-ethylthiomorpholin-3-ol

C6H13NOS — CID 91305359

IUPAC4-ethylthiomorpholin-3-ol
SMILESCCN1CCSCC1O
InChIInChI=1S/C6H13NOS/c1-2-7-3-4-9-5-6(7)8/h6,8H,2-5H2,1H3
InChIKeyGFKLYKXJHFACDT-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.37
Rot. Bonds1

About 4-ethylthiomorpholin-3-ol

4-ethylthiomorpholin-3-ol (PubChem CID 91305359) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-ethylthiomorpholin-3-ol.

Molecular Properties

Compound Name4-ethylthiomorpholin-3-ol
PubChem CID91305359
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name4-ethylthiomorpholin-3-ol
SMILESCCN1CCSCC1O
InChIInChI=1S/C6H13NOS/c1-2-7-3-4-9-5-6(7)8/h6,8H,2-5H2,1H3
InChIKeyGFKLYKXJHFACDT-UHFFFAOYSA-N
XLogP0.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylthiomorpholin-3-ol?
The IUPAC name of 4-ethylthiomorpholin-3-ol (CID 91305359) is 4-ethylthiomorpholin-3-ol.
What is the SMILES notation for 4-ethylthiomorpholin-3-ol?
The canonical SMILES for 4-ethylthiomorpholin-3-ol is CCN1CCSCC1O.
What is the InChIKey of 4-ethylthiomorpholin-3-ol?
The InChIKey is GFKLYKXJHFACDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-7-3-4-9-5-6(7)8/h6,8H,2-5H2,1H3.
What are the key properties of 4-ethylthiomorpholin-3-ol?
4-ethylthiomorpholin-3-ol has a molecular weight of 147.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiomorpholin-3-ol is sourced from PubChem (CID 91305359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).