4-(3,3-diethoxypropyl)thiomorpholine

C11H23NO2S — CID 63628950

IUPAC4-(3,3-diethoxypropyl)thiomorpholine
SMILESCCOC(CCN1CCSCC1)OCC
InChIInChI=1S/C11H23NO2S/c1-3-13-11(14-4-2)5-6-12-7-9-15-10-8-12/h11H,3-10H2,1-2H3
InChIKeyMQAPSJPCTSWSTR-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.82
Rot. Bonds7

About 4-(3,3-diethoxypropyl)thiomorpholine

4-(3,3-diethoxypropyl)thiomorpholine (PubChem CID 63628950) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-(3,3-diethoxypropyl)thiomorpholine.

Molecular Properties

Compound Name4-(3,3-diethoxypropyl)thiomorpholine
PubChem CID63628950
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-(3,3-diethoxypropyl)thiomorpholine
SMILESCCOC(CCN1CCSCC1)OCC
InChIInChI=1S/C11H23NO2S/c1-3-13-11(14-4-2)5-6-12-7-9-15-10-8-12/h11H,3-10H2,1-2H3
InChIKeyMQAPSJPCTSWSTR-UHFFFAOYSA-N
XLogP1.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethoxypropyl)thiomorpholine?
The IUPAC name of 4-(3,3-diethoxypropyl)thiomorpholine (CID 63628950) is 4-(3,3-diethoxypropyl)thiomorpholine.
What is the SMILES notation for 4-(3,3-diethoxypropyl)thiomorpholine?
The canonical SMILES for 4-(3,3-diethoxypropyl)thiomorpholine is CCOC(CCN1CCSCC1)OCC.
What is the InChIKey of 4-(3,3-diethoxypropyl)thiomorpholine?
The InChIKey is MQAPSJPCTSWSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-13-11(14-4-2)5-6-12-7-9-15-10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-(3,3-diethoxypropyl)thiomorpholine?
4-(3,3-diethoxypropyl)thiomorpholine has a molecular weight of 233.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxypropyl)thiomorpholine is sourced from PubChem (CID 63628950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).