2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol

C13H21NO2S — CID 70131075

IUPAC2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol
SMILESCc1ccsc1C(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H21NO2S/c1-10-4-9-17-11(10)12(15)13(2,3)14-5-7-16-8-6-14/h4,9,12,15H,5-8H2,1-3H3
InChIKeyMHIIYGLHBJGPRS-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol

2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol (PubChem CID 70131075) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol
PubChem CID70131075
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol
SMILESCc1ccsc1C(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H21NO2S/c1-10-4-9-17-11(10)12(15)13(2,3)14-5-7-16-8-6-14/h4,9,12,15H,5-8H2,1-3H3
InChIKeyMHIIYGLHBJGPRS-UHFFFAOYSA-N
XLogP2.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol (CID 70131075) is 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol is Cc1ccsc1C(O)C(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol?
The InChIKey is MHIIYGLHBJGPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10-4-9-17-11(10)12(15)13(2,3)14-5-7-16-8-6-14/h4,9,12,15H,5-8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol?
2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol has a molecular weight of 255.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 70131075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).