4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine

C10H19NO2S — CID 66474322

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine
SMILESC1COC(CCN2CCSCC2)OC1
InChIInChI=1S/C10H19NO2S/c1-6-12-10(13-7-1)2-3-11-4-8-14-9-5-11/h10H,1-9H2
InChIKeyALDYOSGYHRAORS-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.19
Rot. Bonds3

About 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine

4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine (PubChem CID 66474322) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine
PubChem CID66474322
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine
SMILESC1COC(CCN2CCSCC2)OC1
InChIInChI=1S/C10H19NO2S/c1-6-12-10(13-7-1)2-3-11-4-8-14-9-5-11/h10H,1-9H2
InChIKeyALDYOSGYHRAORS-UHFFFAOYSA-N
XLogP1.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine (CID 66474322) is 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine is C1COC(CCN2CCSCC2)OC1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine?
The InChIKey is ALDYOSGYHRAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-6-12-10(13-7-1)2-3-11-4-8-14-9-5-11/h10H,1-9H2.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine?
4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine has a molecular weight of 217.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)ethyl]thiomorpholine is sourced from PubChem (CID 66474322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).