2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid

C11H19NO2S — CID 80997480

IUPAC2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid
SMILESCC1CN(C2CCC2C(=O)O)CC(C)S1
InChIInChI=1S/C11H19NO2S/c1-7-5-12(6-8(2)15-7)10-4-3-9(10)11(13)14/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyQSZQFTXUPNTTAA-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.68
Rot. Bonds2

About 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid

2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 80997480) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid
PubChem CID80997480
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid
SMILESCC1CN(C2CCC2C(=O)O)CC(C)S1
InChIInChI=1S/C11H19NO2S/c1-7-5-12(6-8(2)15-7)10-4-3-9(10)11(13)14/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyQSZQFTXUPNTTAA-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid (CID 80997480) is 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid is CC1CN(C2CCC2C(=O)O)CC(C)S1.
What is the InChIKey of 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is QSZQFTXUPNTTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-7-5-12(6-8(2)15-7)10-4-3-9(10)11(13)14/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid?
2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 229.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).