propane;4-propylthiomorpholine-3-carboxylic acid

C11H23NO2S — CID 143678103

IUPACpropane;4-propylthiomorpholine-3-carboxylic acid
SMILESCCC.CCCN1CCSCC1C(=O)O
InChIInChI=1S/C8H15NO2S.C3H8/c1-2-3-9-4-5-12-6-7(9)8(10)11;1-3-2/h7H,2-6H2,1H3,(H,10,11);3H2,1-2H3
InChIKeyMJMZKTMJAJMVEJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.31
Rot. Bonds3

About propane;4-propylthiomorpholine-3-carboxylic acid

propane;4-propylthiomorpholine-3-carboxylic acid (PubChem CID 143678103) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is propane;4-propylthiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Namepropane;4-propylthiomorpholine-3-carboxylic acid
PubChem CID143678103
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Namepropane;4-propylthiomorpholine-3-carboxylic acid
SMILESCCC.CCCN1CCSCC1C(=O)O
InChIInChI=1S/C8H15NO2S.C3H8/c1-2-3-9-4-5-12-6-7(9)8(10)11;1-3-2/h7H,2-6H2,1H3,(H,10,11);3H2,1-2H3
InChIKeyMJMZKTMJAJMVEJ-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propane;4-propylthiomorpholine-3-carboxylic acid?
The IUPAC name of propane;4-propylthiomorpholine-3-carboxylic acid (CID 143678103) is propane;4-propylthiomorpholine-3-carboxylic acid.
What is the SMILES notation for propane;4-propylthiomorpholine-3-carboxylic acid?
The canonical SMILES for propane;4-propylthiomorpholine-3-carboxylic acid is CCC.CCCN1CCSCC1C(=O)O.
What is the InChIKey of propane;4-propylthiomorpholine-3-carboxylic acid?
The InChIKey is MJMZKTMJAJMVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S.C3H8/c1-2-3-9-4-5-12-6-7(9)8(10)11;1-3-2/h7H,2-6H2,1H3,(H,10,11);3H2,1-2H3.
What are the key properties of propane;4-propylthiomorpholine-3-carboxylic acid?
propane;4-propylthiomorpholine-3-carboxylic acid has a molecular weight of 233.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;4-propylthiomorpholine-3-carboxylic acid is sourced from PubChem (CID 143678103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).