1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol

C12H19NO2S — CID 79087289

IUPAC1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCN1CCOC(C(O)CCc2ccsc2)C1
InChIInChI=1S/C12H19NO2S/c1-13-5-6-15-12(8-13)11(14)3-2-10-4-7-16-9-10/h4,7,9,11-12,14H,2-3,5-6,8H2,1H3
InChIKeyNSVYLTJTPAHQFX-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.37
Rot. Bonds4

About 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol

1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 79087289) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID79087289
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCN1CCOC(C(O)CCc2ccsc2)C1
InChIInChI=1S/C12H19NO2S/c1-13-5-6-15-12(8-13)11(14)3-2-10-4-7-16-9-10/h4,7,9,11-12,14H,2-3,5-6,8H2,1H3
InChIKeyNSVYLTJTPAHQFX-UHFFFAOYSA-N
XLogP1.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol (CID 79087289) is 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol is CN1CCOC(C(O)CCc2ccsc2)C1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is NSVYLTJTPAHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-13-5-6-15-12(8-13)11(14)3-2-10-4-7-16-9-10/h4,7,9,11-12,14H,2-3,5-6,8H2,1H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol?
1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 79087289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).