3-(2-morpholin-4-ylethyl)thiolan-3-ol

C10H19NO2S — CID 84735086

IUPAC3-(2-morpholin-4-ylethyl)thiolan-3-ol
SMILESOC1(CCN2CCOCC2)CCSC1
InChIInChI=1S/C10H19NO2S/c12-10(2-8-14-9-10)1-3-11-4-6-13-7-5-11/h12H,1-9H2
InChIKeyWRIDAWDJJHSBKX-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.58
Rot. Bonds3

About 3-(2-morpholin-4-ylethyl)thiolan-3-ol

3-(2-morpholin-4-ylethyl)thiolan-3-ol (PubChem CID 84735086) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)thiolan-3-ol
PubChem CID84735086
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-(2-morpholin-4-ylethyl)thiolan-3-ol
SMILESOC1(CCN2CCOCC2)CCSC1
InChIInChI=1S/C10H19NO2S/c12-10(2-8-14-9-10)1-3-11-4-6-13-7-5-11/h12H,1-9H2
InChIKeyWRIDAWDJJHSBKX-UHFFFAOYSA-N
XLogP0.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)thiolan-3-ol?
The IUPAC name of 3-(2-morpholin-4-ylethyl)thiolan-3-ol (CID 84735086) is 3-(2-morpholin-4-ylethyl)thiolan-3-ol.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)thiolan-3-ol?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)thiolan-3-ol is OC1(CCN2CCOCC2)CCSC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)thiolan-3-ol?
The InChIKey is WRIDAWDJJHSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10(2-8-14-9-10)1-3-11-4-6-13-7-5-11/h12H,1-9H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)thiolan-3-ol?
3-(2-morpholin-4-ylethyl)thiolan-3-ol has a molecular weight of 217.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)thiolan-3-ol is sourced from PubChem (CID 84735086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).