3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol

C11H17NO2S — CID 117240417

IUPAC3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol
SMILESOCC(CN1CCOCC1)c1cccs1
InChIInChI=1S/C11H17NO2S/c13-9-10(11-2-1-7-15-11)8-12-3-5-14-6-4-12/h1-2,7,10,13H,3-6,8-9H2
InChIKeyMORKKFNDMDVMBF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.16
Rot. Bonds4

About 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol

3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol (PubChem CID 117240417) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol
PubChem CID117240417
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol
SMILESOCC(CN1CCOCC1)c1cccs1
InChIInChI=1S/C11H17NO2S/c13-9-10(11-2-1-7-15-11)8-12-3-5-14-6-4-12/h1-2,7,10,13H,3-6,8-9H2
InChIKeyMORKKFNDMDVMBF-UHFFFAOYSA-N
XLogP1.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol (CID 117240417) is 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol is OCC(CN1CCOCC1)c1cccs1.
What is the InChIKey of 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol?
The InChIKey is MORKKFNDMDVMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-9-10(11-2-1-7-15-11)8-12-3-5-14-6-4-12/h1-2,7,10,13H,3-6,8-9H2.
What are the key properties of 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol?
3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 117240417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).