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

C12H19NO2S — CID 79045280

IUPAC2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccsc1)N1CCOCC1
InChIInChI=1S/C12H19NO2S/c1-12(2,13-4-6-15-7-5-13)11(14)10-3-8-16-9-10/h3,8-9,11,14H,4-7H2,1-2H3
InChIKeyFYGALDISZCQSJR-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.89
Rot. Bonds3

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

2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol (PubChem CID 79045280) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol
PubChem CID79045280
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccsc1)N1CCOCC1
InChIInChI=1S/C12H19NO2S/c1-12(2,13-4-6-15-7-5-13)11(14)10-3-8-16-9-10/h3,8-9,11,14H,4-7H2,1-2H3
InChIKeyFYGALDISZCQSJR-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol (CID 79045280) is 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol is CC(C)(C(O)c1ccsc1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol?
The InChIKey is FYGALDISZCQSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,13-4-6-15-7-5-13)11(14)10-3-8-16-9-10/h3,8-9,11,14H,4-7H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol?
2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 79045280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).