4-morpholin-4-ylthiane-4-carboxylic acid

C10H17NO3S — CID 61339323

IUPAC4-morpholin-4-ylthiane-4-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCSCC1
InChIInChI=1S/C10H17NO3S/c12-9(13)10(1-7-15-8-2-10)11-3-5-14-6-4-11/h1-8H2,(H,12,13)
InChIKeyJETCJKOXSUWSMG-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.67
Rot. Bonds2

About 4-morpholin-4-ylthiane-4-carboxylic acid

4-morpholin-4-ylthiane-4-carboxylic acid (PubChem CID 61339323) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-morpholin-4-ylthiane-4-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-ylthiane-4-carboxylic acid
PubChem CID61339323
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name4-morpholin-4-ylthiane-4-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCSCC1
InChIInChI=1S/C10H17NO3S/c12-9(13)10(1-7-15-8-2-10)11-3-5-14-6-4-11/h1-8H2,(H,12,13)
InChIKeyJETCJKOXSUWSMG-UHFFFAOYSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylthiane-4-carboxylic acid?
The IUPAC name of 4-morpholin-4-ylthiane-4-carboxylic acid (CID 61339323) is 4-morpholin-4-ylthiane-4-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-ylthiane-4-carboxylic acid?
The canonical SMILES for 4-morpholin-4-ylthiane-4-carboxylic acid is O=C(O)C1(N2CCOCC2)CCSCC1.
What is the InChIKey of 4-morpholin-4-ylthiane-4-carboxylic acid?
The InChIKey is JETCJKOXSUWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-9(13)10(1-7-15-8-2-10)11-3-5-14-6-4-11/h1-8H2,(H,12,13).
What are the key properties of 4-morpholin-4-ylthiane-4-carboxylic acid?
4-morpholin-4-ylthiane-4-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylthiane-4-carboxylic acid is sourced from PubChem (CID 61339323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).