2-ethylthiomorpholine

C6H13NS — CID 21495166

IUPAC2-ethylthiomorpholine
SMILESCCC1CNCCS1
InChIInChI=1S/C6H13NS/c1-2-6-5-7-3-4-8-6/h6-7H,2-5H2,1H3
InChIKeyHBLYPCZZIIUFRO-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds1

About 2-ethylthiomorpholine

2-ethylthiomorpholine (PubChem CID 21495166) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-ethylthiomorpholine.

Molecular Properties

Compound Name2-ethylthiomorpholine
PubChem CID21495166
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-ethylthiomorpholine
SMILESCCC1CNCCS1
InChIInChI=1S/C6H13NS/c1-2-6-5-7-3-4-8-6/h6-7H,2-5H2,1H3
InChIKeyHBLYPCZZIIUFRO-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthiomorpholine?
The IUPAC name of 2-ethylthiomorpholine (CID 21495166) is 2-ethylthiomorpholine.
What is the SMILES notation for 2-ethylthiomorpholine?
The canonical SMILES for 2-ethylthiomorpholine is CCC1CNCCS1.
What is the InChIKey of 2-ethylthiomorpholine?
The InChIKey is HBLYPCZZIIUFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-6-5-7-3-4-8-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethylthiomorpholine?
2-ethylthiomorpholine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiomorpholine is sourced from PubChem (CID 21495166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).