4-ethylthiomorpholine

C6H13NS — CID 523250

IUPAC4-ethylthiomorpholine
SMILESCCN1CCSCC1
InChIInChI=1S/C6H13NS/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
InChIKeyPYYKWSJZFFSLKR-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.06
Rot. Bonds1

About 4-ethylthiomorpholine

4-ethylthiomorpholine (PubChem CID 523250) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 4-ethylthiomorpholine.

Molecular Properties

Compound Name4-ethylthiomorpholine
PubChem CID523250
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name4-ethylthiomorpholine
SMILESCCN1CCSCC1
InChIInChI=1S/C6H13NS/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
InChIKeyPYYKWSJZFFSLKR-UHFFFAOYSA-N
XLogP1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylthiomorpholine?
The IUPAC name of 4-ethylthiomorpholine (CID 523250) is 4-ethylthiomorpholine.
What is the SMILES notation for 4-ethylthiomorpholine?
The canonical SMILES for 4-ethylthiomorpholine is CCN1CCSCC1.
What is the InChIKey of 4-ethylthiomorpholine?
The InChIKey is PYYKWSJZFFSLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3.
What are the key properties of 4-ethylthiomorpholine?
4-ethylthiomorpholine has a molecular weight of 131.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiomorpholine is sourced from PubChem (CID 523250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).