5-ethyl-2-propylmorpholine-3-thione

C9H17NOS — CID 3052688

IUPAC5-ethyl-2-propylmorpholine-3-thione
SMILESCCCC1OCC(CC)NC1=S
InChIInChI=1S/C9H17NOS/c1-3-5-8-9(12)10-7(4-2)6-11-8/h7-8H,3-6H2,1-2H3,(H,10,12)
InChIKeyMHJLWQRGQUZCSB-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.88
Rot. Bonds3

About 5-ethyl-2-propylmorpholine-3-thione

5-ethyl-2-propylmorpholine-3-thione (PubChem CID 3052688) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 5-ethyl-2-propylmorpholine-3-thione.

Molecular Properties

Compound Name5-ethyl-2-propylmorpholine-3-thione
PubChem CID3052688
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name5-ethyl-2-propylmorpholine-3-thione
SMILESCCCC1OCC(CC)NC1=S
InChIInChI=1S/C9H17NOS/c1-3-5-8-9(12)10-7(4-2)6-11-8/h7-8H,3-6H2,1-2H3,(H,10,12)
InChIKeyMHJLWQRGQUZCSB-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propylmorpholine-3-thione?
The IUPAC name of 5-ethyl-2-propylmorpholine-3-thione (CID 3052688) is 5-ethyl-2-propylmorpholine-3-thione.
What is the SMILES notation for 5-ethyl-2-propylmorpholine-3-thione?
The canonical SMILES for 5-ethyl-2-propylmorpholine-3-thione is CCCC1OCC(CC)NC1=S.
What is the InChIKey of 5-ethyl-2-propylmorpholine-3-thione?
The InChIKey is MHJLWQRGQUZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-5-8-9(12)10-7(4-2)6-11-8/h7-8H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 5-ethyl-2-propylmorpholine-3-thione?
5-ethyl-2-propylmorpholine-3-thione has a molecular weight of 187.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propylmorpholine-3-thione is sourced from PubChem (CID 3052688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).